smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CC1CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253396388 969154170 /nfs/dbraw/zinc/15/41/70/969154170.db2.gz YSWRJZAQKHQTDU-CYBMUJFWSA-N 2 1 238.375 1.081 20 30 BDEDMP C=CCCC[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001209161859 969361278 /nfs/dbraw/zinc/36/12/78/969361278.db2.gz OBAZPWYEJGSKRA-UONOGXRCSA-N 2 1 238.375 1.605 20 30 BDEDMP C=CCCC[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001209161859 969361287 /nfs/dbraw/zinc/36/12/87/969361287.db2.gz OBAZPWYEJGSKRA-UONOGXRCSA-N 2 1 238.375 1.605 20 30 BDEDMP C=CCCC[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001209161859 969361296 /nfs/dbraw/zinc/36/12/96/969361296.db2.gz OBAZPWYEJGSKRA-UONOGXRCSA-N 2 1 238.375 1.605 20 30 BDEDMP C=CCCC[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001209161859 969361305 /nfs/dbraw/zinc/36/13/05/969361305.db2.gz OBAZPWYEJGSKRA-UONOGXRCSA-N 2 1 238.375 1.605 20 30 BDEDMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001254644317 969751828 /nfs/dbraw/zinc/75/18/28/969751828.db2.gz WBRJIOZGMZGPIW-YNEHKIRRSA-N 2 1 221.348 1.753 20 30 BDEDMP C=CCO[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC001343021326 979979270 /nfs/dbraw/zinc/97/92/70/979979270.db2.gz PAISFURIAXOGPJ-CQSZACIVSA-N 2 1 238.375 1.605 20 30 BDEDMP C=C[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001252585931 983835646 /nfs/dbraw/zinc/83/56/46/983835646.db2.gz VZJRXQQLAKFKGV-MJBXVCDLSA-N 2 1 240.391 1.632 20 30 BDEDMP C[C@H](CCCC#N)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246567541 972812683 /nfs/dbraw/zinc/81/26/83/972812683.db2.gz JCVPZHPQIBZLLL-IJLUTSLNSA-N 2 1 227.327 1.830 20 30 BDEDMP C#CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001256629679 970895149 /nfs/dbraw/zinc/89/51/49/970895149.db2.gz OVXPFBNDYGKIJM-YIONKMFJSA-N 2 1 232.371 1.957 20 30 BDEDMP N#CC1CCC(n2c[nH+]cc2C[C@@H]([NH3+])CO)CC1 ZINC001256957823 971029490 /nfs/dbraw/zinc/02/94/90/971029490.db2.gz HBVWAYUIACPDQA-MOENNCHZSA-N 2 1 248.330 1.000 20 30 BDEDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC001256963886 971035071 /nfs/dbraw/zinc/03/50/71/971035071.db2.gz RRYJQVJDLMEDSD-BLYZHGLHSA-N 2 1 235.375 1.999 20 30 BDEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC001256963886 971035080 /nfs/dbraw/zinc/03/50/80/971035080.db2.gz RRYJQVJDLMEDSD-BLYZHGLHSA-N 2 1 235.375 1.999 20 30 BDEDMP N#Cc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)ccn1 ZINC000310799407 971982962 /nfs/dbraw/zinc/98/29/62/971982962.db2.gz AGJKNZOSHULDDE-CYBMUJFWSA-N 2 1 244.342 1.514 20 30 BDEDMP N#Cc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)ccn1 ZINC000310799407 971982969 /nfs/dbraw/zinc/98/29/69/971982969.db2.gz AGJKNZOSHULDDE-CYBMUJFWSA-N 2 1 244.342 1.514 20 30 BDEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246187133 972213006 /nfs/dbraw/zinc/21/30/06/972213006.db2.gz KMWLVNMEQVKQIF-SWLSCSKDSA-N 2 1 243.354 1.831 20 30 BDEDMP C=CC[N@H+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246358903 972303620 /nfs/dbraw/zinc/30/36/20/972303620.db2.gz IAGPPNKEPBDXTG-IXXDHKBRSA-N 2 1 249.402 1.509 20 30 BDEDMP C=CCN1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246358903 972303622 /nfs/dbraw/zinc/30/36/22/972303622.db2.gz IAGPPNKEPBDXTG-IXXDHKBRSA-N 2 1 249.402 1.509 20 30 BDEDMP C=CCn1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cn1 ZINC001206623801 960666097 /nfs/dbraw/zinc/66/60/97/960666097.db2.gz ORRAZDMNJRDSHY-CYBMUJFWSA-N 2 1 248.374 1.630 20 30 BDEDMP N#Cc1cccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)n1 ZINC001206632032 962120220 /nfs/dbraw/zinc/12/02/20/962120220.db2.gz DWEIYWFTECLQTR-LBPRGKRZSA-N 2 1 244.342 1.514 20 30 BDEDMP N#Cc1cccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)n1 ZINC001206632032 962120237 /nfs/dbraw/zinc/12/02/37/962120237.db2.gz DWEIYWFTECLQTR-LBPRGKRZSA-N 2 1 244.342 1.514 20 30 BDEDMP C=CCC[C@H](C)[NH2+]C[C@@H](C[NH+](C)C)OCC ZINC000926958892 964526775 /nfs/dbraw/zinc/52/67/75/964526775.db2.gz IDQSJQLWTWULIY-STQMWFEESA-N 2 1 228.380 1.897 20 30 BDEDMP C[C@@]1([NH3+])C[C@H](Nc2[nH+]ccc3[nH]cc(C#N)c32)C1 ZINC001162328422 964930183 /nfs/dbraw/zinc/93/01/83/964930183.db2.gz BSPQPBSILRZNOU-SWZMTVOYSA-N 2 1 241.298 1.726 20 30 BDEDMP C#CC(CC)(CC)[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253384474 969149209 /nfs/dbraw/zinc/14/92/09/969149209.db2.gz VCPAPWMUKKPKCT-GFCCVEGCSA-N 2 1 240.391 1.517 20 30 BDEDMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](C#N)C2)CC1 ZINC001208597758 969150407 /nfs/dbraw/zinc/15/04/07/969150407.db2.gz NHYWNPWHALQUMS-AWEZNQCLSA-N 2 1 235.375 1.954 20 30 BDEDMP C#C[C@@](C)(CC)[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253406545 969164296 /nfs/dbraw/zinc/16/42/96/969164296.db2.gz PGQMCJFEYHAHAJ-YPMHNXCESA-N 2 1 226.364 1.127 20 30 BDEDMP C=C[C@@H](O)C[NH+]1CCC([NH+](CC)CC)CC1 ZINC001253578833 969250298 /nfs/dbraw/zinc/25/02/98/969250298.db2.gz ILDDTBWPXKLNIP-CYBMUJFWSA-N 2 1 226.364 1.340 20 30 BDEDMP C[N@H+]1CCC[C@H]([NH+]2CCC(S)CC2)CC1 ZINC001254526142 969720741 /nfs/dbraw/zinc/72/07/41/969720741.db2.gz OKPSJZXFEKOHDA-NSHDSACASA-N 2 1 228.405 1.865 20 30 BDEDMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001254644234 969758203 /nfs/dbraw/zinc/75/82/03/969758203.db2.gz WBRJIOZGMZGPIW-RWMBFGLXSA-N 2 1 221.348 1.753 20 30 BDEDMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC001254667259 969773909 /nfs/dbraw/zinc/77/39/09/969773909.db2.gz BREJDGJLDMMSTI-KGLIPLIRSA-N 2 1 235.375 1.952 20 30 BDEDMP SCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256070107 970635767 /nfs/dbraw/zinc/63/57/67/970635767.db2.gz ZFCXRUPHTAZWGK-UHFFFAOYSA-N 2 1 214.378 1.523 20 30 BDEDMP N#Cc1ccnc(C[NH+]2CCC(F)(C[NH3+])CC2)c1 ZINC001222542581 972561624 /nfs/dbraw/zinc/56/16/24/972561624.db2.gz INULRINUUQXLAY-UHFFFAOYSA-N 2 1 248.305 1.216 20 30 BDEDMP C[C@H](CCCC#N)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246562019 972796311 /nfs/dbraw/zinc/79/63/11/972796311.db2.gz HNSMDSLLECFQFG-UTUOFQBUSA-N 2 1 209.337 1.738 20 30 BDEDMP C[C@H](CCCC#N)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246562019 972796308 /nfs/dbraw/zinc/79/63/08/972796308.db2.gz HNSMDSLLECFQFG-UTUOFQBUSA-N 2 1 209.337 1.738 20 30 BDEDMP C[C@H](CCCC#N)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246567541 972812670 /nfs/dbraw/zinc/81/26/70/972812670.db2.gz JCVPZHPQIBZLLL-IJLUTSLNSA-N 2 1 227.327 1.830 20 30 BDEDMP N#CCC1CCC([N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246867303 973236766 /nfs/dbraw/zinc/23/67/66/973236766.db2.gz HYBUBXVQMJKLPM-POOIEITISA-N 2 1 219.332 1.492 20 30 BDEDMP N#CCC1CCC([N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246867303 973236778 /nfs/dbraw/zinc/23/67/78/973236778.db2.gz HYBUBXVQMJKLPM-POOIEITISA-N 2 1 219.332 1.492 20 30 BDEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1CN ZINC001246906966 973398079 /nfs/dbraw/zinc/39/80/79/973398079.db2.gz DMZYDWNANOOFSD-SWLSCSKDSA-N 2 1 243.354 1.912 20 30 BDEDMP N#CCC1CCC([N@H+]2CCC[C@H]2C[NH3+])CC1 ZINC001173329632 975278158 /nfs/dbraw/zinc/27/81/58/975278158.db2.gz KANSLCRSOPIRSK-BPCQOVAHSA-N 2 1 221.348 1.882 20 30 BDEDMP N#CCC1CCC([N@@H+]2CCC[C@H]2C[NH3+])CC1 ZINC001173329632 975278167 /nfs/dbraw/zinc/27/81/67/975278167.db2.gz KANSLCRSOPIRSK-BPCQOVAHSA-N 2 1 221.348 1.882 20 30 BDEDMP CC#CCNC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001335382341 977016231 /nfs/dbraw/zinc/01/62/31/977016231.db2.gz PHTNNJXIGPILMC-HNNXBMFYSA-N 2 1 246.354 1.092 20 30 BDEDMP CC#CC[NH2+]C[C@H](O)CN(C)Cc1ccccc1 ZINC001335382341 977016247 /nfs/dbraw/zinc/01/62/47/977016247.db2.gz PHTNNJXIGPILMC-HNNXBMFYSA-N 2 1 246.354 1.092 20 30 BDEDMP C=C[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001335425949 977052662 /nfs/dbraw/zinc/05/26/62/977052662.db2.gz KQPRVSKCDQCJBS-DZGCQCFKSA-N 2 1 248.370 1.643 20 30 BDEDMP C=C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001335425949 977052672 /nfs/dbraw/zinc/05/26/72/977052672.db2.gz KQPRVSKCDQCJBS-DZGCQCFKSA-N 2 1 248.370 1.643 20 30 BDEDMP C=CCCCC[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235990688 979281675 /nfs/dbraw/zinc/28/16/75/979281675.db2.gz BWTUDEIOQLJHNC-FUNVUKJBSA-N 2 1 224.348 1.248 20 30 BDEDMP C=CCO[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001342228570 979721792 /nfs/dbraw/zinc/72/17/92/979721792.db2.gz KTRQEFYGLDHPEV-UONOGXRCSA-N 2 1 238.375 1.748 20 30 BDEDMP C=CCO[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC001342228570 979721802 /nfs/dbraw/zinc/72/18/02/979721802.db2.gz KTRQEFYGLDHPEV-UONOGXRCSA-N 2 1 238.375 1.748 20 30 BDEDMP C=CCO[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC001342228570 979721813 /nfs/dbraw/zinc/72/18/13/979721813.db2.gz KTRQEFYGLDHPEV-UONOGXRCSA-N 2 1 238.375 1.748 20 30 BDEDMP C#CCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237384825 979880616 /nfs/dbraw/zinc/88/06/16/979880616.db2.gz YVKOWKCKWARSMD-STQMWFEESA-N 2 1 206.333 1.474 20 30 BDEDMP C#CCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237384821 979881971 /nfs/dbraw/zinc/88/19/71/979881971.db2.gz YVKOWKCKWARSMD-CHWSQXEVSA-N 2 1 206.333 1.474 20 30 BDEDMP C=CCNCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205604015 981173562 /nfs/dbraw/zinc/17/35/62/981173562.db2.gz UDQBGPRCMQRYJB-QWHCGFSZSA-N 2 1 225.380 1.069 20 30 BDEDMP C=CCNCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205604015 981173570 /nfs/dbraw/zinc/17/35/70/981173570.db2.gz UDQBGPRCMQRYJB-QWHCGFSZSA-N 2 1 225.380 1.069 20 30 BDEDMP C#CCCC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205761604 982405274 /nfs/dbraw/zinc/40/52/74/982405274.db2.gz IQWFLGJNJBKVKS-JTQLQIEISA-N 2 1 216.275 1.316 20 30 BDEDMP C[C@@H](CCC#N)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001575942005 984138782 /nfs/dbraw/zinc/13/87/82/984138782.db2.gz ZWBMSYFBFWTIMB-TUAOUCFPSA-N 2 1 207.321 1.220 20 30 BDEDMP C=CCC[C@H](O)C[NH2+]C[C@@H]1CC[C@H](C)C[NH2+]1 ZINC001245987752 987263575 /nfs/dbraw/zinc/26/35/75/987263575.db2.gz BWZSWNBVMSXJCO-AVGNSLFASA-N 2 1 226.364 1.291 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246018722 987305032 /nfs/dbraw/zinc/30/50/32/987305032.db2.gz FTFSYQWAPFABIL-MNOVXSKESA-N 2 1 248.317 1.229 20 30 BDEDMP C=C[C@](C)(O)C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246029801 987328340 /nfs/dbraw/zinc/32/83/40/987328340.db2.gz LWVLPFSLWCEFPM-AVGNSLFASA-N 2 1 226.364 1.230 20 30 BDEDMP C[C@H]1CC[C@@H]([NH2+]CCc2ccc(C#N)cc2)C[NH2+]1 ZINC001246192695 987582042 /nfs/dbraw/zinc/58/20/42/987582042.db2.gz XMYQTDFVXZZZLO-SWLSCSKDSA-N 2 1 243.354 1.831 20 30 BDEDMP C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)S)C[NH2+]1 ZINC001246292525 987686047 /nfs/dbraw/zinc/68/60/47/987686047.db2.gz XDGMAKIEVKZDIS-RKDXNWHRSA-N 2 1 202.367 1.425 20 30 BDEDMP C=CC[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH2+][C@H](C)C1 ZINC001246364938 987772460 /nfs/dbraw/zinc/77/24/60/987772460.db2.gz VKACSUJLFXVTHB-RDBSUJKOSA-N 2 1 237.391 1.367 20 30 BDEDMP C=CCN1CCC[C@H]1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246364938 987772466 /nfs/dbraw/zinc/77/24/66/987772466.db2.gz VKACSUJLFXVTHB-RDBSUJKOSA-N 2 1 237.391 1.367 20 30 BDEDMP CCCCCCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246486800 987843692 /nfs/dbraw/zinc/84/36/92/987843692.db2.gz FODDJXKSKIIQFW-ZIAGYGMSSA-N 2 1 241.423 1.886 20 30 BDEDMP N#Cc1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246505239 987858702 /nfs/dbraw/zinc/85/87/02/987858702.db2.gz UOZFGUXLOYOODY-FOSCPWQOSA-N 2 1 247.367 1.992 20 30 BDEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[NH2+]CC1 ZINC001246528413 987882728 /nfs/dbraw/zinc/88/27/28/987882728.db2.gz PSJHOLRQLQDPMY-CYBMUJFWSA-N 2 1 243.354 1.785 20 30 BDEDMP C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC[C@H]1C[NH3+] ZINC001246554004 987960658 /nfs/dbraw/zinc/96/06/58/987960658.db2.gz AOKYNAWMJVCJCH-YIYPIFLZSA-N 2 1 235.375 1.985 20 30 BDEDMP CC[NH+]1CCC(C[N@@H+](C)[C@@H](C)CC#N)CC1 ZINC001308590657 991051042 /nfs/dbraw/zinc/05/10/42/991051042.db2.gz ZPLWNXCMNLOALB-LBPRGKRZSA-N 2 1 223.364 1.952 20 30 BDEDMP C#CC[N@@H+](CC1CC[NH2+]CC1)C1CSC1 ZINC001574666770 992887008 /nfs/dbraw/zinc/88/70/08/992887008.db2.gz HZDIWHDCFXFNSW-UHFFFAOYSA-N 2 1 224.373 1.037 20 30 BDEDMP C#CCOCC[N@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001574735237 992895348 /nfs/dbraw/zinc/89/53/48/992895348.db2.gz CZFBJAPYSSZQFX-UONOGXRCSA-N 2 1 236.359 1.087 20 30 BDEDMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000381761852 993424675 /nfs/dbraw/zinc/42/46/75/993424675.db2.gz UCSFMMVIDDZGNY-AVGNSLFASA-N 2 1 221.348 1.753 20 30 BDEDMP CC#CC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001308171375 995588006 /nfs/dbraw/zinc/58/80/06/995588006.db2.gz RUNQNRIMZLYORO-GASCZTMLSA-N 2 1 232.371 1.818 20 30 BDEDMP CC#CC[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001308171375 995588017 /nfs/dbraw/zinc/58/80/17/995588017.db2.gz RUNQNRIMZLYORO-GASCZTMLSA-N 2 1 232.371 1.818 20 30 BDEDMP CC#CC[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001308171375 995588027 /nfs/dbraw/zinc/58/80/27/995588027.db2.gz RUNQNRIMZLYORO-GASCZTMLSA-N 2 1 232.371 1.818 20 30 BDEDMP CC#CC[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001308171375 995588032 /nfs/dbraw/zinc/58/80/32/995588032.db2.gz RUNQNRIMZLYORO-GASCZTMLSA-N 2 1 232.371 1.818 20 30 BDEDMP C=C(C)[C@H](CO)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000649353851 398166054 /nfs/dbraw/zinc/16/60/54/398166054.db2.gz XHTDQAIWBGAJMJ-MJBXVCDLSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000128872904 136226962 /nfs/dbraw/zinc/22/69/62/136226962.db2.gz AMYRKPKAHHTFOF-QWHCGFSZSA-N 2 1 226.364 1.197 20 30 BDEDMP C[C@@H](C#N)C[NH2+]Cc1cccc2nccn21 ZINC000183833421 346858843 /nfs/dbraw/zinc/85/88/43/346858843.db2.gz ATVMXYNMZBXKEF-JTQLQIEISA-N 2 1 214.272 1.584 20 30 BDEDMP CC#CC[NH+](C)C/C=C\C[N@H+](C)CC#CC ZINC000339766635 136280920 /nfs/dbraw/zinc/28/09/20/136280920.db2.gz TVOCNXFWOSVSNR-KTKRTIGZSA-N 2 1 218.344 1.453 20 30 BDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000339010289 136279647 /nfs/dbraw/zinc/27/96/47/136279647.db2.gz JEGSMAJAJUANEV-QWHCGFSZSA-N 2 1 226.364 1.604 20 30 BDEDMP C=CCOCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000339010289 136279648 /nfs/dbraw/zinc/27/96/48/136279648.db2.gz JEGSMAJAJUANEV-QWHCGFSZSA-N 2 1 226.364 1.604 20 30 BDEDMP C=CCOCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000339010289 136279649 /nfs/dbraw/zinc/27/96/49/136279649.db2.gz JEGSMAJAJUANEV-QWHCGFSZSA-N 2 1 226.364 1.604 20 30 BDEDMP C=CCOCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000339010289 136279650 /nfs/dbraw/zinc/27/96/50/136279650.db2.gz JEGSMAJAJUANEV-QWHCGFSZSA-N 2 1 226.364 1.604 20 30 BDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000339010290 136280079 /nfs/dbraw/zinc/28/00/79/136280079.db2.gz JEGSMAJAJUANEV-STQMWFEESA-N 2 1 226.364 1.604 20 30 BDEDMP C=CCOCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000339010290 136280080 /nfs/dbraw/zinc/28/00/80/136280080.db2.gz JEGSMAJAJUANEV-STQMWFEESA-N 2 1 226.364 1.604 20 30 BDEDMP C=CCOCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000339010290 136280081 /nfs/dbraw/zinc/28/00/81/136280081.db2.gz JEGSMAJAJUANEV-STQMWFEESA-N 2 1 226.364 1.604 20 30 BDEDMP C=CCOCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000339010290 136280082 /nfs/dbraw/zinc/28/00/82/136280082.db2.gz JEGSMAJAJUANEV-STQMWFEESA-N 2 1 226.364 1.604 20 30 BDEDMP C[N@@H+]1CC[C@]2(CC[NH+](CC3(CC#N)CC3)C2)C1 ZINC000310456106 343497922 /nfs/dbraw/zinc/49/79/22/343497922.db2.gz WUGGSWUXUNZCDT-AWEZNQCLSA-N 2 1 233.359 1.708 20 30 BDEDMP C[N@H+]1CC[C@]2(CC[NH+](CC3(CC#N)CC3)C2)C1 ZINC000310456106 343497926 /nfs/dbraw/zinc/49/79/26/343497926.db2.gz WUGGSWUXUNZCDT-AWEZNQCLSA-N 2 1 233.359 1.708 20 30 BDEDMP C[NH+]1CC[C@]2(CC[N@H+](CC3(CC#N)CC3)C2)C1 ZINC000310456106 343497929 /nfs/dbraw/zinc/49/79/29/343497929.db2.gz WUGGSWUXUNZCDT-AWEZNQCLSA-N 2 1 233.359 1.708 20 30 BDEDMP C[NH+]1CC[C@]2(CC[N@@H+](CC3(CC#N)CC3)C2)C1 ZINC000310456106 343497931 /nfs/dbraw/zinc/49/79/31/343497931.db2.gz WUGGSWUXUNZCDT-AWEZNQCLSA-N 2 1 233.359 1.708 20 30 BDEDMP C=CC[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000625703205 344048429 /nfs/dbraw/zinc/04/84/29/344048429.db2.gz RHPPKTLZABUKMU-JSGCOSHPSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CC[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000625703205 344048430 /nfs/dbraw/zinc/04/84/30/344048430.db2.gz RHPPKTLZABUKMU-JSGCOSHPSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CC[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000625703205 344048431 /nfs/dbraw/zinc/04/84/31/344048431.db2.gz RHPPKTLZABUKMU-JSGCOSHPSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CC[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000625703205 344048432 /nfs/dbraw/zinc/04/84/32/344048432.db2.gz RHPPKTLZABUKMU-JSGCOSHPSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CC[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000625704137 344048964 /nfs/dbraw/zinc/04/89/64/344048964.db2.gz VXPXNROGQHCABI-KGLIPLIRSA-N 2 1 240.391 1.586 20 30 BDEDMP C=CC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000625704137 344048966 /nfs/dbraw/zinc/04/89/66/344048966.db2.gz VXPXNROGQHCABI-KGLIPLIRSA-N 2 1 240.391 1.586 20 30 BDEDMP C=CC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000625704137 344048968 /nfs/dbraw/zinc/04/89/68/344048968.db2.gz VXPXNROGQHCABI-KGLIPLIRSA-N 2 1 240.391 1.586 20 30 BDEDMP CC#CCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000155761051 345103270 /nfs/dbraw/zinc/10/32/70/345103270.db2.gz HOFCYBFQWUJQSI-AWEZNQCLSA-N 2 1 220.360 1.818 20 30 BDEDMP C[C@H]1C[C@H]([NH2+]CC2(CC#N)CC2)CC[N@H+]1C ZINC000158266014 345314097 /nfs/dbraw/zinc/31/40/97/345314097.db2.gz LYOXLRNHODTPDR-NWDGAFQWSA-N 2 1 221.348 1.753 20 30 BDEDMP C#CC[N@H+](C)CCCN[C@H](C)c1nccnc1C ZINC000295060227 346352262 /nfs/dbraw/zinc/35/22/62/346352262.db2.gz RCZODHCHKMGHOD-GFCCVEGCSA-N 2 1 246.358 1.391 20 30 BDEDMP C=CC[N@H+](Cc1ccccc1)C[C@](C)(O)C[NH2+]C ZINC000580654425 365848369 /nfs/dbraw/zinc/84/83/69/365848369.db2.gz UEAUMCRIRJRDRY-OAHLLOKOSA-N 2 1 248.370 1.645 20 30 BDEDMP C=CC[N@@H+](Cc1ccccc1)C[C@](C)(O)C[NH2+]C ZINC000580654425 365848371 /nfs/dbraw/zinc/84/83/71/365848371.db2.gz UEAUMCRIRJRDRY-OAHLLOKOSA-N 2 1 248.370 1.645 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]CC2(C)COC2)CC1 ZINC000309780929 347162052 /nfs/dbraw/zinc/16/20/52/347162052.db2.gz MWSZNRAFVYPVOO-UHFFFAOYSA-N 2 1 224.348 1.263 20 30 BDEDMP CC#CCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000364514025 347461297 /nfs/dbraw/zinc/46/12/97/347461297.db2.gz OMRMHSJQEPENNG-QLFBSQMISA-N 2 1 232.371 1.816 20 30 BDEDMP CC#CCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000364514025 347461300 /nfs/dbraw/zinc/46/13/00/347461300.db2.gz OMRMHSJQEPENNG-QLFBSQMISA-N 2 1 232.371 1.816 20 30 BDEDMP CC#CCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000364514025 347461301 /nfs/dbraw/zinc/46/13/01/347461301.db2.gz OMRMHSJQEPENNG-QLFBSQMISA-N 2 1 232.371 1.816 20 30 BDEDMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000591570688 347675895 /nfs/dbraw/zinc/67/58/95/347675895.db2.gz AUCOSRORFZUZAA-ZJUUUORDSA-N 2 1 235.306 1.913 20 30 BDEDMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000591581447 347678381 /nfs/dbraw/zinc/67/83/81/347678381.db2.gz WQDYCKOLUPFCCX-ZJUUUORDSA-N 2 1 203.289 1.556 20 30 BDEDMP Cn1cncc1CCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000593978004 347986387 /nfs/dbraw/zinc/98/63/87/347986387.db2.gz XENOBCCGZDQVTB-CQSZACIVSA-N 2 1 246.358 1.978 20 30 BDEDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595896813 348387242 /nfs/dbraw/zinc/38/72/42/348387242.db2.gz YAIKWCUACZNNNY-WFASDCNBSA-N 2 1 243.354 1.912 20 30 BDEDMP C[C@@]1(C#N)CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000595904512 348396451 /nfs/dbraw/zinc/39/64/51/348396451.db2.gz DZHQCBBTYOYRHF-RYUDHWBXSA-N 2 1 207.321 1.222 20 30 BDEDMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000596651033 348605852 /nfs/dbraw/zinc/60/58/52/348605852.db2.gz OCGNFFSIIWACCI-SWLSCSKDSA-N 2 1 243.354 1.688 20 30 BDEDMP C=CCC[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623542344 362961448 /nfs/dbraw/zinc/96/14/48/362961448.db2.gz WLEONNZKMCGQJT-STQMWFEESA-N 2 1 240.391 1.776 20 30 BDEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])N(C)C1CC1 ZINC000273375672 351525087 /nfs/dbraw/zinc/52/50/87/351525087.db2.gz WJXDGVHSKBFMSK-UHFFFAOYSA-N 2 1 249.362 1.381 20 30 BDEDMP Cn1ccnc1C[C@@H]1CCC[N@@H+](CCCC#N)C1 ZINC000119992965 358465334 /nfs/dbraw/zinc/46/53/34/358465334.db2.gz HGXBJRINMHEQSV-ZDUSSCGKSA-N 2 1 246.358 1.978 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+](C)CCCn1ccnc1 ZINC000181099976 353419955 /nfs/dbraw/zinc/41/99/55/353419955.db2.gz LQFHPDBKDSLMFC-ZDUSSCGKSA-N 2 1 237.347 1.532 20 30 BDEDMP C=CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000350091444 355584064 /nfs/dbraw/zinc/58/40/64/355584064.db2.gz KYZAMOGNHRMGAV-ZDUSSCGKSA-N 2 1 208.349 1.836 20 30 BDEDMP C=CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000350091444 355584068 /nfs/dbraw/zinc/58/40/68/355584068.db2.gz KYZAMOGNHRMGAV-ZDUSSCGKSA-N 2 1 208.349 1.836 20 30 BDEDMP C=CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000350091444 355584071 /nfs/dbraw/zinc/58/40/71/355584071.db2.gz KYZAMOGNHRMGAV-ZDUSSCGKSA-N 2 1 208.349 1.836 20 30 BDEDMP C=CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000350091444 355584077 /nfs/dbraw/zinc/58/40/77/355584077.db2.gz KYZAMOGNHRMGAV-ZDUSSCGKSA-N 2 1 208.349 1.836 20 30 BDEDMP C=CCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420320389 192195010 /nfs/dbraw/zinc/19/50/10/192195010.db2.gz BNBJDBMKJPGFLM-QWHCGFSZSA-N 2 1 208.349 1.884 20 30 BDEDMP C=CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000336153946 134105272 /nfs/dbraw/zinc/10/52/72/134105272.db2.gz VPXUZVVYCWZWEH-CYBMUJFWSA-N 2 1 237.391 1.273 20 30 BDEDMP C=C(C)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336510795 134148851 /nfs/dbraw/zinc/14/88/51/134148851.db2.gz NPMZJIMDZBHPNW-ZDUSSCGKSA-N 2 1 208.349 1.980 20 30 BDEDMP C=C(C)[C@@H](CO)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757473 356664209 /nfs/dbraw/zinc/66/42/09/356664209.db2.gz MNYCAIYDMTZCAX-CYBMUJFWSA-N 2 1 238.375 1.341 20 30 BDEDMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423313625 192700874 /nfs/dbraw/zinc/70/08/74/192700874.db2.gz FYLOXVVRIPQCMZ-YGRLFVJLSA-N 2 1 229.327 1.946 20 30 BDEDMP C=CCOCC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000309498124 491150348 /nfs/dbraw/zinc/15/03/48/491150348.db2.gz ZAAZMFSGZQSIRB-STQMWFEESA-N 2 1 226.364 1.509 20 30 BDEDMP C=CC[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000629500798 361101415 /nfs/dbraw/zinc/10/14/15/361101415.db2.gz XWYPICMLOUDCBO-LBPRGKRZSA-N 2 1 208.349 1.884 20 30 BDEDMP C=CC[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000629546507 361429351 /nfs/dbraw/zinc/42/93/51/361429351.db2.gz CZIBRLXVUTYXQM-QWHCGFSZSA-N 2 1 208.349 1.884 20 30 BDEDMP CC#CCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000155947555 201375948 /nfs/dbraw/zinc/37/59/48/201375948.db2.gz JWSNXBMSQHFRJH-ZDUSSCGKSA-N 2 1 208.349 1.673 20 30 BDEDMP CC#CCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000155947555 201375951 /nfs/dbraw/zinc/37/59/51/201375951.db2.gz JWSNXBMSQHFRJH-ZDUSSCGKSA-N 2 1 208.349 1.673 20 30 BDEDMP CC#CCC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000155947555 201375953 /nfs/dbraw/zinc/37/59/53/201375953.db2.gz JWSNXBMSQHFRJH-ZDUSSCGKSA-N 2 1 208.349 1.673 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1CC ZINC000382293711 367504283 /nfs/dbraw/zinc/50/42/83/367504283.db2.gz LOUJNVXEPTVSOU-QWHCGFSZSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1CC ZINC000382293711 367504285 /nfs/dbraw/zinc/50/42/85/367504285.db2.gz LOUJNVXEPTVSOU-QWHCGFSZSA-N 2 1 208.349 1.720 20 30 BDEDMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000600703959 369559995 /nfs/dbraw/zinc/55/99/95/369559995.db2.gz NFSWDFHKXKNKLF-AWEZNQCLSA-N 2 1 243.354 1.908 20 30 BDEDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000600703959 369559999 /nfs/dbraw/zinc/55/99/99/369559999.db2.gz NFSWDFHKXKNKLF-AWEZNQCLSA-N 2 1 243.354 1.908 20 30 BDEDMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(C#N)o1 ZINC000600769627 369562313 /nfs/dbraw/zinc/56/23/13/369562313.db2.gz PVQUTBZVDPAALG-ZJUUUORDSA-N 2 1 219.288 1.320 20 30 BDEDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C#N)o1 ZINC000600769627 369562316 /nfs/dbraw/zinc/56/23/16/369562316.db2.gz PVQUTBZVDPAALG-ZJUUUORDSA-N 2 1 219.288 1.320 20 30 BDEDMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000131423734 371603002 /nfs/dbraw/zinc/60/30/02/371603002.db2.gz XLIAPJSVDRBIQQ-BXUZGUMPSA-N 2 1 229.327 1.870 20 30 BDEDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(C#N)c1 ZINC000131423734 371603005 /nfs/dbraw/zinc/60/30/05/371603005.db2.gz XLIAPJSVDRBIQQ-BXUZGUMPSA-N 2 1 229.327 1.870 20 30 BDEDMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1C#N ZINC000216177687 371710231 /nfs/dbraw/zinc/71/02/31/371710231.db2.gz GBJIPTGJYYBLHI-NWDGAFQWSA-N 2 1 229.327 1.727 20 30 BDEDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1C#N ZINC000216177687 371710235 /nfs/dbraw/zinc/71/02/35/371710235.db2.gz GBJIPTGJYYBLHI-NWDGAFQWSA-N 2 1 229.327 1.727 20 30 BDEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC#N)[C@H](C)C1 ZINC000174777984 384362942 /nfs/dbraw/zinc/36/29/42/384362942.db2.gz OWCKBMCTAHEEJW-CHWSQXEVSA-N 2 1 223.364 1.952 20 30 BDEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC#N)[C@H](C)C1 ZINC000174777984 384362948 /nfs/dbraw/zinc/36/29/48/384362948.db2.gz OWCKBMCTAHEEJW-CHWSQXEVSA-N 2 1 223.364 1.952 20 30 BDEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC#N)[C@H](C)C1 ZINC000174777984 384362952 /nfs/dbraw/zinc/36/29/52/384362952.db2.gz OWCKBMCTAHEEJW-CHWSQXEVSA-N 2 1 223.364 1.952 20 30 BDEDMP C[C@@H]([NH2+][C@@H](CN)C1CC1)c1cccc(C#N)c1 ZINC000423272465 384528944 /nfs/dbraw/zinc/52/89/44/384528944.db2.gz IDHLKRFPQXGMRY-YGRLFVJLSA-N 2 1 229.327 1.946 20 30 BDEDMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(C#N)c1 ZINC000423272465 384528950 /nfs/dbraw/zinc/52/89/50/384528950.db2.gz IDHLKRFPQXGMRY-YGRLFVJLSA-N 2 1 229.327 1.946 20 30 BDEDMP C#CCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000363480596 384551440 /nfs/dbraw/zinc/55/14/40/384551440.db2.gz OAHLDSRFSRZMAQ-ZDUSSCGKSA-N 2 1 206.333 1.427 20 30 BDEDMP C=CCCC[N@H+](C)CCc1cncn1C ZINC000297579870 384850180 /nfs/dbraw/zinc/85/01/80/384850180.db2.gz DLQLHIIUPZESRN-UHFFFAOYSA-N 2 1 207.321 1.861 20 30 BDEDMP C=CCC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247647065 385359577 /nfs/dbraw/zinc/35/95/77/385359577.db2.gz WFGZFNKEIFGANT-MCIONIFRSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247647065 385359580 /nfs/dbraw/zinc/35/95/80/385359580.db2.gz WFGZFNKEIFGANT-MCIONIFRSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000247647065 385359582 /nfs/dbraw/zinc/35/95/82/385359582.db2.gz WFGZFNKEIFGANT-MCIONIFRSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000247647065 385359585 /nfs/dbraw/zinc/35/95/85/385359585.db2.gz WFGZFNKEIFGANT-MCIONIFRSA-N 2 1 240.391 1.728 20 30 BDEDMP C#C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)C ZINC000393790719 385598633 /nfs/dbraw/zinc/59/86/33/385598633.db2.gz YOJNQTACWLVKTD-CQSZACIVSA-N 2 1 220.360 1.861 20 30 BDEDMP C=CCOCC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000645083305 386709055 /nfs/dbraw/zinc/70/90/55/386709055.db2.gz KYDZEZZDYIFZLC-CYBMUJFWSA-N 2 1 235.331 1.723 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCOCC1 ZINC000392810009 387291529 /nfs/dbraw/zinc/29/15/29/387291529.db2.gz UQVWRKLJRJWNMG-CYBMUJFWSA-N 2 1 224.348 1.100 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCOCC1 ZINC000392810009 387291535 /nfs/dbraw/zinc/29/15/35/387291535.db2.gz UQVWRKLJRJWNMG-CYBMUJFWSA-N 2 1 224.348 1.100 20 30 BDEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423514083 387348474 /nfs/dbraw/zinc/34/84/74/387348474.db2.gz LZALHQFFFRMLQN-XQQFMLRXSA-N 2 1 225.380 1.080 20 30 BDEDMP C=CCCCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423517851 387349461 /nfs/dbraw/zinc/34/94/61/387349461.db2.gz OHURVYBHTUJNMA-UONOGXRCSA-N 2 1 239.407 1.615 20 30 BDEDMP C=CC[NH+]1CCC(N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422863842 387746397 /nfs/dbraw/zinc/74/63/97/387746397.db2.gz SLIAXMVWFVFGHE-GXTWGEPZSA-N 2 1 237.391 1.354 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000424299971 387960378 /nfs/dbraw/zinc/96/03/78/387960378.db2.gz WJMDWJIIMLVWDQ-RQJABVFESA-N 2 1 238.375 1.507 20 30 BDEDMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC[N@@H+]1C ZINC000424319597 387969428 /nfs/dbraw/zinc/96/94/28/387969428.db2.gz FFGWMNFMJTXGCY-RVMXOQNASA-N 2 1 221.348 1.751 20 30 BDEDMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC[N@H+]1C ZINC000424319597 387969433 /nfs/dbraw/zinc/96/94/33/387969433.db2.gz FFGWMNFMJTXGCY-RVMXOQNASA-N 2 1 221.348 1.751 20 30 BDEDMP C=CCCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104783 388143196 /nfs/dbraw/zinc/14/31/96/388143196.db2.gz XZYIORCUFCFHSY-UHFFFAOYSA-N 2 1 238.375 1.749 20 30 BDEDMP C#C[C@H](C)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000491748368 388317410 /nfs/dbraw/zinc/31/74/10/388317410.db2.gz REEMWSXCMKFYSO-LBPRGKRZSA-N 2 1 219.332 1.925 20 30 BDEDMP C#C[C@H](C)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000491748368 388317411 /nfs/dbraw/zinc/31/74/11/388317411.db2.gz REEMWSXCMKFYSO-LBPRGKRZSA-N 2 1 219.332 1.925 20 30 BDEDMP C#CC[N@@H+](C)CCCN[C@H](C)c1cncnc1C ZINC000491760738 388318667 /nfs/dbraw/zinc/31/86/67/388318667.db2.gz SKVAPBIANSBVGX-GFCCVEGCSA-N 2 1 246.358 1.391 20 30 BDEDMP C#CC[N@H+](C)CCCN[C@H](C)c1cncnc1C ZINC000491760738 388318668 /nfs/dbraw/zinc/31/86/68/388318668.db2.gz SKVAPBIANSBVGX-GFCCVEGCSA-N 2 1 246.358 1.391 20 30 BDEDMP C#CC[NH+](C)CCCN[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000491209520 388277412 /nfs/dbraw/zinc/27/74/12/388277412.db2.gz IHTAFXLZJTYRIN-UKRRQHHQSA-N 2 1 249.402 1.014 20 30 BDEDMP C#CC[N@@H+](C)CCCN[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000491209520 388277414 /nfs/dbraw/zinc/27/74/14/388277414.db2.gz IHTAFXLZJTYRIN-UKRRQHHQSA-N 2 1 249.402 1.014 20 30 BDEDMP C#CC[N@H+](C)CCCN[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000491209520 388277415 /nfs/dbraw/zinc/27/74/15/388277415.db2.gz IHTAFXLZJTYRIN-UKRRQHHQSA-N 2 1 249.402 1.014 20 30 BDEDMP CC[N@H+](CCCc1c[nH+]cn1C)C[C@H](C)C#N ZINC000314308858 388397952 /nfs/dbraw/zinc/39/79/52/388397952.db2.gz FWZRFZHBIYVSFR-GFCCVEGCSA-N 2 1 234.347 1.834 20 30 BDEDMP CC[N@@H+](CCCc1c[nH+]cn1C)C[C@H](C)C#N ZINC000314308858 388397953 /nfs/dbraw/zinc/39/79/53/388397953.db2.gz FWZRFZHBIYVSFR-GFCCVEGCSA-N 2 1 234.347 1.834 20 30 BDEDMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCC#N ZINC000308631307 388446248 /nfs/dbraw/zinc/44/62/48/388446248.db2.gz AMPQAZPELJKNPB-UHFFFAOYSA-N 2 1 209.337 1.754 20 30 BDEDMP N#CCc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000573249926 388435693 /nfs/dbraw/zinc/43/56/93/388435693.db2.gz NEHIEADDBLWILO-KGLIPLIRSA-N 2 1 229.327 1.722 20 30 BDEDMP C#CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185719978 388590381 /nfs/dbraw/zinc/59/03/81/388590381.db2.gz KEWRDKDNNXRDPS-CHWSQXEVSA-N 2 1 220.360 1.862 20 30 BDEDMP CC[C@H]([NH2+]CC[NH3+])c1ccc(C#N)cc1 ZINC000423175991 388688149 /nfs/dbraw/zinc/68/81/49/388688149.db2.gz BKOALGBLEMKKTL-LBPRGKRZSA-N 2 1 203.289 1.558 20 30 BDEDMP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423482946 388692251 /nfs/dbraw/zinc/69/22/51/388692251.db2.gz XMQXHPKJTKCRDN-JSGCOSHPSA-N 2 1 229.327 1.872 20 30 BDEDMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423441637 388692936 /nfs/dbraw/zinc/69/29/36/388692936.db2.gz JDIZKNNKZRHCKM-MXWKQRLJSA-N 2 1 217.316 1.945 20 30 BDEDMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(C#N)cc1 ZINC000423432426 388693025 /nfs/dbraw/zinc/69/30/25/388693025.db2.gz MIXWSTVIHURTCQ-QQUHWDOBSA-N 2 1 227.311 1.427 20 30 BDEDMP C=CC[C@@H](CO)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000353128873 134161870 /nfs/dbraw/zinc/16/18/70/134161870.db2.gz LQXINQIKYFONKS-GFCCVEGCSA-N 2 1 249.358 1.422 20 30 BDEDMP C=CC[N@@H+](CCOCC[NH3+])CCc1ccccc1 ZINC000357075830 134181939 /nfs/dbraw/zinc/18/19/39/134181939.db2.gz OMWOTKDYAXMIDR-UHFFFAOYSA-N 2 1 248.370 1.692 20 30 BDEDMP C=CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119457732 134226362 /nfs/dbraw/zinc/22/63/62/134226362.db2.gz JTAYISHOCSELCI-YIONKMFJSA-N 2 1 249.402 1.415 20 30 BDEDMP C=CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119457732 134226363 /nfs/dbraw/zinc/22/63/63/134226363.db2.gz JTAYISHOCSELCI-YIONKMFJSA-N 2 1 249.402 1.415 20 30 BDEDMP C[C@@]1(C[NH+]2CCC(C#N)CC2)CC[NH2+]C1 ZINC000335448368 135014576 /nfs/dbraw/zinc/01/45/76/135014576.db2.gz ONAJDKFWGFROEX-GFCCVEGCSA-N 2 1 207.321 1.222 20 30 BDEDMP C=CCOCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000339005849 135051107 /nfs/dbraw/zinc/05/11/07/135051107.db2.gz DFDVKYBWLOXHHN-CQSZACIVSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CCOCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000339005849 135051108 /nfs/dbraw/zinc/05/11/08/135051108.db2.gz DFDVKYBWLOXHHN-CQSZACIVSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CCOCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000339005849 135051109 /nfs/dbraw/zinc/05/11/09/135051109.db2.gz DFDVKYBWLOXHHN-CQSZACIVSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CCOCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000339005849 135051110 /nfs/dbraw/zinc/05/11/10/135051110.db2.gz DFDVKYBWLOXHHN-CQSZACIVSA-N 2 1 240.391 1.995 20 30 BDEDMP C[NH+](C)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000260508484 135148319 /nfs/dbraw/zinc/14/83/19/135148319.db2.gz WCBOAACNYLPILS-YPMHNXCESA-N 2 1 221.348 1.705 20 30 BDEDMP CCCNC(=[NH2+])NCCCCn1cc[nH+]c1C ZINC000267412939 135153887 /nfs/dbraw/zinc/15/38/87/135153887.db2.gz IRAXWBSPSAORGM-UHFFFAOYSA-N 2 1 237.351 1.286 20 30 BDEDMP C=CC[N@H+](CCOC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261534643 135168295 /nfs/dbraw/zinc/16/82/95/135168295.db2.gz SHBJAAYBJHZGEJ-OLZOCXBDSA-N 2 1 226.364 1.509 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000341871416 135244115 /nfs/dbraw/zinc/24/41/15/135244115.db2.gz DJECFRZYDVCKKQ-RFQIPJPRSA-N 2 1 240.391 1.489 20 30 BDEDMP C=C(C)CNC(=[NH2+])NCC[N@@H+]1CCCC[C@H]1C ZINC000262002797 135271315 /nfs/dbraw/zinc/27/13/15/135271315.db2.gz QJIVDJSQACLBAH-GFCCVEGCSA-N 2 1 238.379 1.341 20 30 BDEDMP C[C@@H](CNC1=[NH+]C[C@H](C)N1)[N@H+]1CCC[C@@H](C)C1 ZINC000262634753 135310488 /nfs/dbraw/zinc/31/04/88/135310488.db2.gz GOSAPTIWTOISLR-WOPDTQHZSA-N 2 1 238.379 1.044 20 30 BDEDMP C=CCC[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000320975271 398035194 /nfs/dbraw/zinc/03/51/94/398035194.db2.gz HCMYQEWNFQDSBW-BFHYXJOUSA-N 2 1 238.375 1.530 20 30 BDEDMP C=CCCC[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405579115 411435959 /nfs/dbraw/zinc/43/59/59/411435959.db2.gz JKYOGXZIPFJGRP-VXGBXAGGSA-N 2 1 212.337 1.248 20 30 BDEDMP C=C(C)C[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660221806 411556088 /nfs/dbraw/zinc/55/60/88/411556088.db2.gz RUPPTYRZZNMUDF-GFCCVEGCSA-N 2 1 214.353 1.195 20 30 BDEDMP C=C(C)C[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660221806 411556090 /nfs/dbraw/zinc/55/60/90/411556090.db2.gz RUPPTYRZZNMUDF-GFCCVEGCSA-N 2 1 214.353 1.195 20 30 BDEDMP C=C(C)C[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000660221806 411556091 /nfs/dbraw/zinc/55/60/91/411556091.db2.gz RUPPTYRZZNMUDF-GFCCVEGCSA-N 2 1 214.353 1.195 20 30 BDEDMP C=C(C)C[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000660221806 411556093 /nfs/dbraw/zinc/55/60/93/411556093.db2.gz RUPPTYRZZNMUDF-GFCCVEGCSA-N 2 1 214.353 1.195 20 30 BDEDMP C=CC[C@@H]1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000662299910 412085910 /nfs/dbraw/zinc/08/59/10/412085910.db2.gz ZKVUIXSCRAMSER-OLZOCXBDSA-N 2 1 226.364 1.245 20 30 BDEDMP C=CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319475 412098206 /nfs/dbraw/zinc/09/82/06/412098206.db2.gz NZSBKFYJXHNACD-GFCCVEGCSA-N 2 1 212.337 1.215 20 30 BDEDMP C=CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319475 412098209 /nfs/dbraw/zinc/09/82/09/412098209.db2.gz NZSBKFYJXHNACD-GFCCVEGCSA-N 2 1 212.337 1.215 20 30 BDEDMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000071142234 173371338 /nfs/dbraw/zinc/37/13/38/173371338.db2.gz BREBLHDJBQRZIX-AWEZNQCLSA-N 2 1 229.327 1.600 20 30 BDEDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000071142234 173371340 /nfs/dbraw/zinc/37/13/40/173371340.db2.gz BREBLHDJBQRZIX-AWEZNQCLSA-N 2 1 229.327 1.600 20 30 BDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000094339019 176302457 /nfs/dbraw/zinc/30/24/57/176302457.db2.gz LKONZAXDIDVDQX-RISCZKNCSA-N 2 1 229.327 1.727 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000094339019 176302459 /nfs/dbraw/zinc/30/24/59/176302459.db2.gz LKONZAXDIDVDQX-RISCZKNCSA-N 2 1 229.327 1.727 20 30 BDEDMP C[C@H]1C[C@H]([NH+](C)CCCC#N)CC[N@@H+]1C ZINC000123698232 177365576 /nfs/dbraw/zinc/36/55/76/177365576.db2.gz MOPGPOJTLJODPQ-NWDGAFQWSA-N 2 1 209.337 1.705 20 30 BDEDMP C[C@H]1C[C@H]([NH+](C)CCCC#N)CC[N@H+]1C ZINC000123698232 177365578 /nfs/dbraw/zinc/36/55/78/177365578.db2.gz MOPGPOJTLJODPQ-NWDGAFQWSA-N 2 1 209.337 1.705 20 30 BDEDMP C[C@H]1C[C@H]([N@H+](C)CCCC#N)CC[NH+]1C ZINC000123698232 177365580 /nfs/dbraw/zinc/36/55/80/177365580.db2.gz MOPGPOJTLJODPQ-NWDGAFQWSA-N 2 1 209.337 1.705 20 30 BDEDMP C[C@H]1C[C@H]([N@@H+](C)CCCC#N)CC[NH+]1C ZINC000123698232 177365583 /nfs/dbraw/zinc/36/55/83/177365583.db2.gz MOPGPOJTLJODPQ-NWDGAFQWSA-N 2 1 209.337 1.705 20 30 BDEDMP CC#CC[N@H+](C)CCCc1c[nH+]cn1C ZINC000566627896 326070207 /nfs/dbraw/zinc/07/02/07/326070207.db2.gz AQFBBWKPUMZOPI-UHFFFAOYSA-N 2 1 205.305 1.308 20 30 BDEDMP CC#CC[N@@H+](C)CCCc1c[nH+]cn1C ZINC000566627896 326070209 /nfs/dbraw/zinc/07/02/09/326070209.db2.gz AQFBBWKPUMZOPI-UHFFFAOYSA-N 2 1 205.305 1.308 20 30 BDEDMP N#Cc1cccc(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000567987223 326291903 /nfs/dbraw/zinc/29/19/03/326291903.db2.gz VTFSXLDXJUIASB-UHFFFAOYSA-N 2 1 215.300 1.529 20 30 BDEDMP C=CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)COC ZINC000662299860 487546828 /nfs/dbraw/zinc/54/68/28/487546828.db2.gz YPAIEVQXIFIAGE-NEPJUHHUSA-N 2 1 212.337 1.119 20 30 BDEDMP C=C(CC)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335699803 534398113 /nfs/dbraw/zinc/39/81/13/534398113.db2.gz JBODUUYJPQDXCO-ZDUSSCGKSA-N 2 1 208.349 1.980 20 30 BDEDMP C=C(CC)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335699803 534398122 /nfs/dbraw/zinc/39/81/22/534398122.db2.gz JBODUUYJPQDXCO-ZDUSSCGKSA-N 2 1 208.349 1.980 20 30 BDEDMP C=C(CC)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335699803 534398129 /nfs/dbraw/zinc/39/81/29/534398129.db2.gz JBODUUYJPQDXCO-ZDUSSCGKSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CCNC(=[NH2+])NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000261878749 534844282 /nfs/dbraw/zinc/84/42/82/534844282.db2.gz QOAIMAAVWVCRND-VXGBXAGGSA-N 2 1 238.379 1.340 20 30 BDEDMP C=CCOCCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000348059661 534872972 /nfs/dbraw/zinc/87/29/72/534872972.db2.gz WLFAOSUEDXSHFI-AWEZNQCLSA-N 2 1 240.391 1.853 20 30 BDEDMP C=CCOCCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000348059661 534872975 /nfs/dbraw/zinc/87/29/75/534872975.db2.gz WLFAOSUEDXSHFI-AWEZNQCLSA-N 2 1 240.391 1.853 20 30 BDEDMP C=CCOCCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000348059661 534872978 /nfs/dbraw/zinc/87/29/78/534872978.db2.gz WLFAOSUEDXSHFI-AWEZNQCLSA-N 2 1 240.391 1.853 20 30 BDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[C@H]1C ZINC000261992375 535549356 /nfs/dbraw/zinc/54/93/56/535549356.db2.gz MNOIFRNELUKORE-GRYCIOLGSA-N 2 1 238.379 1.031 20 30 BDEDMP C#CC[N@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000893612050 583173742 /nfs/dbraw/zinc/17/37/42/583173742.db2.gz LVEMIAXXXFJNPP-UHFFFAOYSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]CC1CCSCC1 ZINC000894863749 583536000 /nfs/dbraw/zinc/53/60/00/583536000.db2.gz QMDNTBBAQFWERC-UHFFFAOYSA-N 2 1 240.416 1.674 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]CC1CCSCC1 ZINC000894863749 583536001 /nfs/dbraw/zinc/53/60/01/583536001.db2.gz QMDNTBBAQFWERC-UHFFFAOYSA-N 2 1 240.416 1.674 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](CC(C)C)OC ZINC000894863355 583536039 /nfs/dbraw/zinc/53/60/39/583536039.db2.gz AFTJYTOHIQKLDM-CQSZACIVSA-N 2 1 240.391 1.592 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](CC(C)C)OC ZINC000894863355 583536041 /nfs/dbraw/zinc/53/60/41/583536041.db2.gz AFTJYTOHIQKLDM-CQSZACIVSA-N 2 1 240.391 1.592 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@](C)(OC)C1CC1 ZINC000894863568 583536563 /nfs/dbraw/zinc/53/65/63/583536563.db2.gz IOXWQBSBAZZXTN-AWEZNQCLSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@](C)(OC)C1CC1 ZINC000894863568 583536565 /nfs/dbraw/zinc/53/65/65/583536565.db2.gz IOXWQBSBAZZXTN-AWEZNQCLSA-N 2 1 238.375 1.346 20 30 BDEDMP C=C(C)C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000896035172 583764603 /nfs/dbraw/zinc/76/46/03/583764603.db2.gz OMJHMUIZZNAHHV-PBNFFQIGSA-N 2 1 238.375 1.528 20 30 BDEDMP N#CC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000903033535 584718683 /nfs/dbraw/zinc/71/86/83/584718683.db2.gz WRAFXLCGQFRRFN-STQMWFEESA-N 2 1 233.359 1.897 20 30 BDEDMP N#C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000903563433 584782351 /nfs/dbraw/zinc/78/23/51/584782351.db2.gz CLVUJRJKTSOTJT-STQMWFEESA-N 2 1 221.348 1.612 20 30 BDEDMP C[N@@H+](CCCCC1(C#N)CCC1)C[C@H](O)C[NH3+] ZINC000903752036 584795653 /nfs/dbraw/zinc/79/56/53/584795653.db2.gz PBUBMMZQQRSIBO-GFCCVEGCSA-N 2 1 239.363 1.102 20 30 BDEDMP C=CC[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903757720 584798698 /nfs/dbraw/zinc/79/86/98/584798698.db2.gz GIKBWEKOWZHBEI-ZIAGYGMSSA-N 2 1 236.359 1.405 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903861965 584813097 /nfs/dbraw/zinc/81/30/97/584813097.db2.gz ZQWWSPVDHDQVPF-AGIUHOORSA-N 2 1 224.348 1.127 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903861965 584813098 /nfs/dbraw/zinc/81/30/98/584813098.db2.gz ZQWWSPVDHDQVPF-AGIUHOORSA-N 2 1 224.348 1.127 20 30 BDEDMP CC(C)([NH3+])CC[NH2+]Cc1ccc(C#N)o1 ZINC000903939103 584826831 /nfs/dbraw/zinc/82/68/31/584826831.db2.gz DJAPQXHBWJJOKU-UHFFFAOYSA-N 2 1 207.277 1.368 20 30 BDEDMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C#N)C2)CC[NH2+]1 ZINC000903987629 584836254 /nfs/dbraw/zinc/83/62/54/584836254.db2.gz IAHAEUXIAYTHIE-UPJWGTAASA-N 2 1 221.348 1.610 20 30 BDEDMP C=C(Cl)C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000757644411 585343752 /nfs/dbraw/zinc/34/37/52/585343752.db2.gz VXAHJXXGSCVQNG-JTQLQIEISA-N 2 1 225.723 1.962 20 30 BDEDMP C#CCCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000759968286 585383401 /nfs/dbraw/zinc/38/34/01/585383401.db2.gz XJQHGINNWSULGS-CYBMUJFWSA-N 2 1 208.349 1.816 20 30 BDEDMP C#C[C@H]([NH2+]CCCn1cc[nH+]c1C)[C@@H]1CCCO1 ZINC000775792672 585685138 /nfs/dbraw/zinc/68/51/38/585685138.db2.gz SMFUWTQYXZZTLG-KBPBESRZSA-N 2 1 247.342 1.352 20 30 BDEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)nc1 ZINC000848720612 588408513 /nfs/dbraw/zinc/40/85/13/588408513.db2.gz PZXLYMAGVZXCEF-NWDGAFQWSA-N 2 1 230.315 1.313 20 30 BDEDMP C=CCNC(=[NH2+])NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000849012631 588435605 /nfs/dbraw/zinc/43/56/05/588435605.db2.gz GTEARWQXXPOMOO-GFCCVEGCSA-N 2 1 238.379 1.264 20 30 BDEDMP C=CCNC(=[NH2+])NCCC[N@H+](C)CC(C)C ZINC000849047286 588450797 /nfs/dbraw/zinc/45/07/97/588450797.db2.gz SSYZUMWLSUJQRB-UHFFFAOYSA-N 2 1 226.368 1.264 20 30 BDEDMP C#CCOCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000851848225 588634600 /nfs/dbraw/zinc/63/46/00/588634600.db2.gz ZVKWYJIDZQHMIP-ZIAGYGMSSA-N 2 1 238.375 1.298 20 30 BDEDMP C#CCOCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000851848225 588634601 /nfs/dbraw/zinc/63/46/01/588634601.db2.gz ZVKWYJIDZQHMIP-ZIAGYGMSSA-N 2 1 238.375 1.298 20 30 BDEDMP C#CCOCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000851848225 588634602 /nfs/dbraw/zinc/63/46/02/588634602.db2.gz ZVKWYJIDZQHMIP-ZIAGYGMSSA-N 2 1 238.375 1.298 20 30 BDEDMP C#CCCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852760708 588700794 /nfs/dbraw/zinc/70/07/94/588700794.db2.gz LZHDCYXCCQXMJE-AWEZNQCLSA-N 2 1 238.375 1.442 20 30 BDEDMP C#CCCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852760709 588701084 /nfs/dbraw/zinc/70/10/84/588701084.db2.gz LZHDCYXCCQXMJE-CQSZACIVSA-N 2 1 238.375 1.442 20 30 BDEDMP C=C(C)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785322 589818431 /nfs/dbraw/zinc/81/84/31/589818431.db2.gz IOVOXRHYMXIMBD-YOGCLGLASA-N 2 1 237.347 1.934 20 30 BDEDMP C=C(C)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785322 589818432 /nfs/dbraw/zinc/81/84/32/589818432.db2.gz IOVOXRHYMXIMBD-YOGCLGLASA-N 2 1 237.347 1.934 20 30 BDEDMP C#CC[N@@H+](CCc1cncn1C)C1CSC1 ZINC000878909674 590644747 /nfs/dbraw/zinc/64/47/47/590644747.db2.gz AHYKCYLTJGHFPE-UHFFFAOYSA-N 2 1 235.356 1.013 20 30 BDEDMP C#CC[N@H+](CCc1cncn1C)C1CSC1 ZINC000878909674 590644749 /nfs/dbraw/zinc/64/47/49/590644749.db2.gz AHYKCYLTJGHFPE-UHFFFAOYSA-N 2 1 235.356 1.013 20 30 BDEDMP C#CC[N@@H+](CCCn1cc[nH+]c1C)C1CSC1 ZINC000878911883 590649102 /nfs/dbraw/zinc/64/91/02/590649102.db2.gz VTXIYKOWAXPYSH-UHFFFAOYSA-N 2 1 249.383 1.632 20 30 BDEDMP C#CC[N@H+](CCCn1cc[nH+]c1C)C1CSC1 ZINC000878911883 590649105 /nfs/dbraw/zinc/64/91/05/590649105.db2.gz VTXIYKOWAXPYSH-UHFFFAOYSA-N 2 1 249.383 1.632 20 30 BDEDMP C#CCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580639 590820749 /nfs/dbraw/zinc/82/07/49/590820749.db2.gz ISVHWVQBZPAQPV-OLZOCXBDSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580639 590820750 /nfs/dbraw/zinc/82/07/50/590820750.db2.gz ISVHWVQBZPAQPV-OLZOCXBDSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580639 590820751 /nfs/dbraw/zinc/82/07/51/590820751.db2.gz ISVHWVQBZPAQPV-OLZOCXBDSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580639 590820752 /nfs/dbraw/zinc/82/07/52/590820752.db2.gz ISVHWVQBZPAQPV-OLZOCXBDSA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258773 590978899 /nfs/dbraw/zinc/97/88/99/590978899.db2.gz CHCDWZWDWVAOMX-CYBMUJFWSA-N 2 1 229.327 1.615 20 30 BDEDMP CC#CC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258773 590978900 /nfs/dbraw/zinc/97/89/00/590978900.db2.gz CHCDWZWDWVAOMX-CYBMUJFWSA-N 2 1 229.327 1.615 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)COC(C)C ZINC000883131035 591546751 /nfs/dbraw/zinc/54/67/51/591546751.db2.gz CPBUGSGJBXUXEQ-ZDUSSCGKSA-N 2 1 226.364 1.345 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)COC(C)C ZINC000883131035 591546752 /nfs/dbraw/zinc/54/67/52/591546752.db2.gz CPBUGSGJBXUXEQ-ZDUSSCGKSA-N 2 1 226.364 1.345 20 30 BDEDMP CC#CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883156498 591555360 /nfs/dbraw/zinc/55/53/60/591555360.db2.gz PUYDWMXYEABMPH-QWHCGFSZSA-N 2 1 238.375 1.223 20 30 BDEDMP CC#CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883156496 591555875 /nfs/dbraw/zinc/55/58/75/591555875.db2.gz PUYDWMXYEABMPH-CHWSQXEVSA-N 2 1 238.375 1.223 20 30 BDEDMP C#CCC[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000886716424 592310657 /nfs/dbraw/zinc/31/06/57/592310657.db2.gz YJVKHCCFJOWXMV-UHFFFAOYSA-N 2 1 220.360 1.960 20 30 BDEDMP CCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000104181476 592603309 /nfs/dbraw/zinc/60/33/09/592603309.db2.gz DNFVWYUPJDHEME-LBPRGKRZSA-N 2 1 240.395 1.421 20 30 BDEDMP C=CC[N@H+](C[C@H]([NH3+])CC(F)F)C(C)C ZINC000308457056 631344839 /nfs/dbraw/zinc/34/48/39/631344839.db2.gz DLJMKJFUGRZTQR-SECBINFHSA-N 2 1 206.280 1.865 20 30 BDEDMP C=CC[N@@H+](C[C@H]([NH3+])CC(F)F)C(C)C ZINC000308457056 631344844 /nfs/dbraw/zinc/34/48/44/631344844.db2.gz DLJMKJFUGRZTQR-SECBINFHSA-N 2 1 206.280 1.865 20 30 BDEDMP CCCCCCC[N@@H+](C)C[C@H](O)C[NH3+] ZINC000308668683 631476270 /nfs/dbraw/zinc/47/62/70/631476270.db2.gz UMBRSYXMXFWPJO-LLVKDONJSA-N 2 1 202.342 1.208 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]CCSCC ZINC000328309151 633750806 /nfs/dbraw/zinc/75/08/06/633750806.db2.gz WLOWJTPRTJQHGF-UHFFFAOYSA-N 2 1 214.378 1.284 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]CCSCC ZINC000328309151 633750809 /nfs/dbraw/zinc/75/08/09/633750809.db2.gz WLOWJTPRTJQHGF-UHFFFAOYSA-N 2 1 214.378 1.284 20 30 BDEDMP C#CC(C)(C)[N@@H+](C)CCc1c[nH+]cn1C ZINC000297339045 634232907 /nfs/dbraw/zinc/23/29/07/634232907.db2.gz DJIKSFJOINJYBA-UHFFFAOYSA-N 2 1 205.305 1.306 20 30 BDEDMP C#CC(C)(C)[N@H+](C)CCc1c[nH+]cn1C ZINC000297339045 634232912 /nfs/dbraw/zinc/23/29/12/634232912.db2.gz DJIKSFJOINJYBA-UHFFFAOYSA-N 2 1 205.305 1.306 20 30 BDEDMP C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)[C@@H]1CC[NH2+]C1 ZINC000925811256 635365728 /nfs/dbraw/zinc/36/57/28/635365728.db2.gz COPBTURMWNXMDR-ZYHUDNBSSA-N 2 1 247.317 1.785 20 30 BDEDMP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 ZINC000303987736 636320704 /nfs/dbraw/zinc/32/07/04/636320704.db2.gz JLGXJUKTEZGXKP-GHMZBOCLSA-N 2 1 226.368 1.031 20 30 BDEDMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])N(C)C2CC2)C1 ZINC000305823594 636333699 /nfs/dbraw/zinc/33/36/99/636333699.db2.gz QAAROLXOGZXJDS-NSHDSACASA-N 2 1 238.379 1.127 20 30 BDEDMP CCC[NH+]=C(NC[C@@H](C)[NH+](C)C)NC(C)(C)C ZINC000912509946 640101854 /nfs/dbraw/zinc/10/18/54/640101854.db2.gz VQVMEJJMWQHEFB-LLVKDONJSA-N 2 1 242.411 1.680 20 30 BDEDMP C#CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C(C)C ZINC000932388325 640498068 /nfs/dbraw/zinc/49/80/68/640498068.db2.gz GRTQHEWZHJMHKA-ZDUSSCGKSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CC[N@H+](CC[C@@H]1CCC[NH+]1C)C(C)C ZINC000932388325 640498076 /nfs/dbraw/zinc/49/80/76/640498076.db2.gz GRTQHEWZHJMHKA-ZDUSSCGKSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000932388325 640498084 /nfs/dbraw/zinc/49/80/84/640498084.db2.gz GRTQHEWZHJMHKA-ZDUSSCGKSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CC[NH+](CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000932388325 640498091 /nfs/dbraw/zinc/49/80/91/640498091.db2.gz GRTQHEWZHJMHKA-ZDUSSCGKSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CC[N@@H+](CCc1c[nH+]cn1C)C(C)C ZINC000932382722 640507943 /nfs/dbraw/zinc/50/79/43/640507943.db2.gz BMEINMMMBRVEGP-UHFFFAOYSA-N 2 1 205.305 1.306 20 30 BDEDMP C#CC[N@H+](CCc1c[nH+]cn1C)C(C)C ZINC000932382722 640507946 /nfs/dbraw/zinc/50/79/46/640507946.db2.gz BMEINMMMBRVEGP-UHFFFAOYSA-N 2 1 205.305 1.306 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000923294777 644332036 /nfs/dbraw/zinc/33/20/36/644332036.db2.gz PMGBRJNGMOSBNE-CHWSQXEVSA-N 2 1 228.380 1.619 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000923331379 644352864 /nfs/dbraw/zinc/35/28/64/644352864.db2.gz GGGGXWKDXTVQFF-IGQOVBAYSA-N 2 1 238.375 1.373 20 30 BDEDMP C=CCC[C@H](O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000923334027 644353977 /nfs/dbraw/zinc/35/39/77/644353977.db2.gz GMADXTLXQQPCML-STQMWFEESA-N 2 1 226.364 1.387 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000923349166 644363308 /nfs/dbraw/zinc/36/33/08/644363308.db2.gz PHHPWHAOZNJMRH-STQMWFEESA-N 2 1 226.364 1.374 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000923391384 644395575 /nfs/dbraw/zinc/39/55/75/644395575.db2.gz DXYBERNFLHZVRR-WOPDTQHZSA-N 2 1 212.337 1.125 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923391357 644397029 /nfs/dbraw/zinc/39/70/29/644397029.db2.gz DVBSOGLFJSIFSM-MOKVOYLWSA-N 2 1 238.375 1.517 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923391357 644397032 /nfs/dbraw/zinc/39/70/32/644397032.db2.gz DVBSOGLFJSIFSM-MOKVOYLWSA-N 2 1 238.375 1.517 20 30 BDEDMP CCC[N@@H+](CC)CCNC(=[NH2+])NCC(C)C ZINC000083052943 644399211 /nfs/dbraw/zinc/39/92/11/644399211.db2.gz CMLPKYUSIZTDDN-UHFFFAOYSA-N 2 1 228.384 1.279 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923415268 644416812 /nfs/dbraw/zinc/41/68/12/644416812.db2.gz ROBUACAQMJFBPA-IHRRRGAJSA-N 2 1 238.375 1.387 20 30 BDEDMP C=CCCn1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)nn1 ZINC000923481591 644458757 /nfs/dbraw/zinc/45/87/57/644458757.db2.gz SATKDKJYWHLBMQ-LBPRGKRZSA-N 2 1 249.362 1.025 20 30 BDEDMP CC[C@H](C)[N@@H+](C)CCNC(NC1CC1)=[NH+]C ZINC000303408251 644822663 /nfs/dbraw/zinc/82/26/63/644822663.db2.gz TUWUDVFZDYLSLM-JTQLQIEISA-N 2 1 226.368 1.044 20 30 BDEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NC(C)C)C1 ZINC000303885498 644854894 /nfs/dbraw/zinc/85/48/94/644854894.db2.gz NFRHTSSORRBOHZ-NSHDSACASA-N 2 1 226.368 1.031 20 30 BDEDMP CC(C)[N@@H+](C)CCNC(=[NH2+])NCC1CCC1 ZINC000303987049 644863165 /nfs/dbraw/zinc/86/31/65/644863165.db2.gz VDHFUCHPFDRKIA-UHFFFAOYSA-N 2 1 226.368 1.031 20 30 BDEDMP CCCNC(=[NH2+])NC[C@H]1CCCC[N@H+]1CC ZINC000304736367 644927058 /nfs/dbraw/zinc/92/70/58/644927058.db2.gz ABDLOZKCRGQFQB-LLVKDONJSA-N 2 1 226.368 1.175 20 30 BDEDMP C=CCNC(=[NH2+])NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000849023756 645446501 /nfs/dbraw/zinc/44/65/01/645446501.db2.gz CWRMHIDDLKKZAT-LLVKDONJSA-N 2 1 238.379 1.407 20 30 BDEDMP C=CCNC(=[NH2+])NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000849023757 645447481 /nfs/dbraw/zinc/44/74/81/645447481.db2.gz CWRMHIDDLKKZAT-NSHDSACASA-N 2 1 238.379 1.407 20 30 BDEDMP C#CC[C@H](COC)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000716934222 712597363 /nfs/dbraw/zinc/59/73/63/712597363.db2.gz JGJJBBANOQQOQD-YNEHKIRRSA-N 2 1 224.348 1.097 20 30 BDEDMP C#CC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000716934222 712597364 /nfs/dbraw/zinc/59/73/64/712597364.db2.gz JGJJBBANOQQOQD-YNEHKIRRSA-N 2 1 224.348 1.097 20 30 BDEDMP C#CCCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705643082 712134418 /nfs/dbraw/zinc/13/44/18/712134418.db2.gz VCBDMTFHVNQOSO-KBPBESRZSA-N 2 1 220.360 1.673 20 30 BDEDMP C=CCO[C@@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC001345160378 957163187 /nfs/dbraw/zinc/16/31/87/957163187.db2.gz UYDASNOVJFUZPI-ZIAGYGMSSA-N 2 1 238.375 1.653 20 30 BDEDMP C=CC[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC001165033711 721864053 /nfs/dbraw/zinc/86/40/53/721864053.db2.gz WEZSVHPPFGUOBY-UHFFFAOYSA-N 2 1 242.326 1.871 20 30 BDEDMP N#C[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC001207438543 960093405 /nfs/dbraw/zinc/09/34/05/960093405.db2.gz AFDASCUVIOFYER-GFCCVEGCSA-N 2 1 221.348 1.612 20 30 BDEDMP C[NH+]1CCC(CC[N@H+]2CC[C@H](C#N)C2)CC1 ZINC001207486235 968799781 /nfs/dbraw/zinc/79/97/81/968799781.db2.gz DTFQNWKAGFJBKD-CYBMUJFWSA-N 2 1 221.348 1.564 20 30 BDEDMP C=CCC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001252614003 968870786 /nfs/dbraw/zinc/87/07/86/968870786.db2.gz FATQMFKCWVBBLY-ZIAGYGMSSA-N 2 1 240.391 1.635 20 30 BDEDMP C=C[C@](C)(O)C[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001252557512 983817019 /nfs/dbraw/zinc/81/70/19/983817019.db2.gz MUVXRWLYYHVYFQ-MJBXVCDLSA-N 2 1 238.375 1.197 20 30 BDEDMP C=C[C@](C)(O)C[N@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001252557512 983817023 /nfs/dbraw/zinc/81/70/23/983817023.db2.gz MUVXRWLYYHVYFQ-MJBXVCDLSA-N 2 1 238.375 1.197 20 30 BDEDMP C=CC[N@H+](C)C1CCC([NH+]2CCOCC2)CC1 ZINC001256698851 970929071 /nfs/dbraw/zinc/92/90/71/970929071.db2.gz RAQKTCJFEPTPQM-UHFFFAOYSA-N 2 1 238.375 1.748 20 30 BDEDMP C#CC1([NH2+]C2CC[NH+](CC(C)C)CC2)CC1 ZINC001258007510 971548353 /nfs/dbraw/zinc/54/83/53/971548353.db2.gz YMIHSSSOAWZOQC-UHFFFAOYSA-N 2 1 220.360 1.862 20 30 BDEDMP C#CC[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124629 974343161 /nfs/dbraw/zinc/34/31/61/974343161.db2.gz MFAVXHJSCNUYPD-CLLJXQQHSA-N 2 1 206.333 1.567 20 30 BDEDMP C#CC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124629 974343167 /nfs/dbraw/zinc/34/31/67/974343167.db2.gz MFAVXHJSCNUYPD-CLLJXQQHSA-N 2 1 206.333 1.567 20 30 BDEDMP C#CC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124629 974343171 /nfs/dbraw/zinc/34/31/71/974343171.db2.gz MFAVXHJSCNUYPD-CLLJXQQHSA-N 2 1 206.333 1.567 20 30 BDEDMP N#Cc1cccc(CCC[N@@H+]2CCC[NH2+]CC2)c1 ZINC001204654907 960989294 /nfs/dbraw/zinc/98/92/94/960989294.db2.gz DUVDRNNGGZCAPX-UHFFFAOYSA-N 2 1 243.354 1.786 20 30 BDEDMP N#Cc1cccc(CCC[N@H+]2CCC[NH2+]CC2)c1 ZINC001204654907 960989348 /nfs/dbraw/zinc/98/93/48/960989348.db2.gz DUVDRNNGGZCAPX-UHFFFAOYSA-N 2 1 243.354 1.786 20 30 BDEDMP CCO[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)C[NH+](C)C ZINC000926959483 964529377 /nfs/dbraw/zinc/52/93/77/964529377.db2.gz JDIVBZKPLHACAX-RWMBFGLXSA-N 2 1 239.363 1.235 20 30 BDEDMP N#Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)ccn1 ZINC001205124076 965887379 /nfs/dbraw/zinc/88/73/79/965887379.db2.gz KBCHLTBEMYRUPF-LBPRGKRZSA-N 2 1 230.315 1.266 20 30 BDEDMP N#Cc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)ccn1 ZINC001205124076 965887391 /nfs/dbraw/zinc/88/73/91/965887391.db2.gz KBCHLTBEMYRUPF-LBPRGKRZSA-N 2 1 230.315 1.266 20 30 BDEDMP Cc1ccc(CC#N)c(N(C)C[C@@H]2CC[NH2+]C2)[nH+]1 ZINC001166958196 966486933 /nfs/dbraw/zinc/48/69/33/966486933.db2.gz WEWLBTGQSJWGOG-GFCCVEGCSA-N 2 1 244.342 1.502 20 30 BDEDMP CCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205937724 967890302 /nfs/dbraw/zinc/89/03/02/967890302.db2.gz CEBMCBRLIOABPH-VXGBXAGGSA-N 2 1 214.353 1.351 20 30 BDEDMP C#CCCC[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206296340 968205322 /nfs/dbraw/zinc/20/53/22/968205322.db2.gz RIIQOCPXLCWWMP-CYBMUJFWSA-N 2 1 208.349 1.851 20 30 BDEDMP C=C[C@@](C)(O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001252555080 968794937 /nfs/dbraw/zinc/79/49/37/968794937.db2.gz OOWUHVYPVCORML-CYBMUJFWSA-N 2 1 226.364 1.340 20 30 BDEDMP C=C[C@@](C)(O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC001252555080 968794946 /nfs/dbraw/zinc/79/49/46/968794946.db2.gz OOWUHVYPVCORML-CYBMUJFWSA-N 2 1 226.364 1.340 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+](C)CCC[NH+](C)C ZINC001252590019 968845506 /nfs/dbraw/zinc/84/55/06/968845506.db2.gz XXVPKXGOTAFWBG-GFCCVEGCSA-N 2 1 214.353 1.197 20 30 BDEDMP C=CCC[C@H](O)C[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001252603681 968863058 /nfs/dbraw/zinc/86/30/58/968863058.db2.gz DQXGCSFEMMXWEJ-AWEZNQCLSA-N 2 1 240.391 1.730 20 30 BDEDMP C=CCC[C@H](O)C[NH+]1CCC([N@H+](C)CC)CC1 ZINC001252603681 968863061 /nfs/dbraw/zinc/86/30/61/968863061.db2.gz DQXGCSFEMMXWEJ-AWEZNQCLSA-N 2 1 240.391 1.730 20 30 BDEDMP C=CCC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC001252616936 968874291 /nfs/dbraw/zinc/87/42/91/968874291.db2.gz WERYYSXHPCGGAL-QWHCGFSZSA-N 2 1 226.364 1.387 20 30 BDEDMP C=CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001252625299 968885437 /nfs/dbraw/zinc/88/54/37/968885437.db2.gz VGOXWTOGVRDSHI-AGIUHOORSA-N 2 1 226.364 1.243 20 30 BDEDMP C=C[C@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001253568256 969240521 /nfs/dbraw/zinc/24/05/21/969240521.db2.gz ZFSLCIZLNOSHHE-ZDUSSCGKSA-N 2 1 224.348 1.094 20 30 BDEDMP C#C[C@@](C)(CC)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254505822 969675048 /nfs/dbraw/zinc/67/50/48/969675048.db2.gz JPRQNYAJUPPOIG-STQMWFEESA-N 2 1 208.349 1.862 20 30 BDEDMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001254644233 969757891 /nfs/dbraw/zinc/75/78/91/969757891.db2.gz WBRJIOZGMZGPIW-JHJVBQTASA-N 2 1 221.348 1.753 20 30 BDEDMP C=CCO[C@@H]1CC[N@@H+](CCC[NH+](CC)CC)C1 ZINC001255778446 970473117 /nfs/dbraw/zinc/47/31/17/970473117.db2.gz CYPAXTZEJTXEQR-CQSZACIVSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CCO[C@@H]1CC[N@H+](CCC[NH+](CC)CC)C1 ZINC001255778446 970473123 /nfs/dbraw/zinc/47/31/23/970473123.db2.gz CYPAXTZEJTXEQR-CQSZACIVSA-N 2 1 240.391 1.995 20 30 BDEDMP N#CCCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256067813 970634126 /nfs/dbraw/zinc/63/41/26/970634126.db2.gz KMBXHZRQPUMFQU-UHFFFAOYSA-N 2 1 221.348 1.897 20 30 BDEDMP C[C@]1([NH3+])CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001246550348 972709390 /nfs/dbraw/zinc/70/93/90/972709390.db2.gz JNENWMBHFMQUFB-AGIUHOORSA-N 2 1 221.348 1.882 20 30 BDEDMP N#CC1CCC([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246862776 973179847 /nfs/dbraw/zinc/17/98/47/973179847.db2.gz RIIGEZHUAOYVIK-PYNQCMFNSA-N 2 1 219.332 1.492 20 30 BDEDMP C#C[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112085 974377595 /nfs/dbraw/zinc/37/75/95/974377595.db2.gz STXGJKCCSNUGDK-RVMXOQNASA-N 2 1 206.333 1.613 20 30 BDEDMP CC[NH+]1C[C@@H]2C[N@H+]([C@H](C)CCCC#N)C[C@@H]2C1 ZINC001172500893 974854075 /nfs/dbraw/zinc/85/40/75/974854075.db2.gz CCHLSHNGXPIYAT-MCIONIFRSA-N 2 1 235.375 1.952 20 30 BDEDMP C=CCOC1CCC([N@H+]2CCC[C@H]2C[NH3+])CC1 ZINC001173316247 975305284 /nfs/dbraw/zinc/30/52/84/975305284.db2.gz YVMTYXHFZSTUIX-MOKVOYLWSA-N 2 1 238.375 1.923 20 30 BDEDMP C=CCOC1CCC([N@@H+]2CCC[C@H]2C[NH3+])CC1 ZINC001173316247 975305289 /nfs/dbraw/zinc/30/52/89/975305289.db2.gz YVMTYXHFZSTUIX-MOKVOYLWSA-N 2 1 238.375 1.923 20 30 BDEDMP C[NH+](C)CC1CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233045739 978424913 /nfs/dbraw/zinc/42/49/13/978424913.db2.gz UVMGNQKDSJCIBT-UHFFFAOYSA-N 2 1 246.358 1.660 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C)nc(C)c1 ZINC001178827514 978631142 /nfs/dbraw/zinc/63/11/42/978631142.db2.gz PJLQFUILJXTNEJ-UHFFFAOYSA-N 2 1 245.370 1.743 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C)nc(C)c1 ZINC001178827514 978631151 /nfs/dbraw/zinc/63/11/51/978631151.db2.gz PJLQFUILJXTNEJ-UHFFFAOYSA-N 2 1 245.370 1.743 20 30 BDEDMP C=CCCCCCC[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206463899 979326583 /nfs/dbraw/zinc/32/65/83/979326583.db2.gz GJLIXRCVOANHBJ-QWHCGFSZSA-N 2 1 226.364 1.374 20 30 BDEDMP C=C[C@](C)(O)C[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001252557512 983817017 /nfs/dbraw/zinc/81/70/17/983817017.db2.gz MUVXRWLYYHVYFQ-MJBXVCDLSA-N 2 1 238.375 1.197 20 30 BDEDMP C[N@H+](Cc1cccc(C#N)n1)CC1CC[NH2+]CC1 ZINC001578493064 985120103 /nfs/dbraw/zinc/12/01/03/985120103.db2.gz CCEDFHDFSIMPCT-UHFFFAOYSA-N 2 1 244.342 1.385 20 30 BDEDMP C=CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H](C)COC ZINC000691844675 985698857 /nfs/dbraw/zinc/69/88/57/985698857.db2.gz LXFZRWDQVWVUDE-UPJWGTAASA-N 2 1 226.364 1.637 20 30 BDEDMP C=CCC[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001245987754 987270594 /nfs/dbraw/zinc/27/05/94/987270594.db2.gz BWZSWNBVMSXJCO-UPJWGTAASA-N 2 1 226.364 1.291 20 30 BDEDMP C=CCC[C@@H](O)C[NH2+][C@H]1CCCC[NH2+]C1 ZINC001245995082 987279797 /nfs/dbraw/zinc/27/97/97/987279797.db2.gz SMLCTDLUFWUGRH-NWDGAFQWSA-N 2 1 212.337 1.045 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246018725 987305949 /nfs/dbraw/zinc/30/59/49/987305949.db2.gz FTFSYQWAPFABIL-QWRGUYRKSA-N 2 1 248.317 1.229 20 30 BDEDMP C[C@H]1CC[C@H]([NH2+]C2CCC(C#N)CC2)C[NH2+]1 ZINC001246081448 987376678 /nfs/dbraw/zinc/37/66/78/987376678.db2.gz SOICCEKLWMCOQG-WTIISPKJSA-N 2 1 221.348 1.799 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)C1 ZINC001246092653 987401546 /nfs/dbraw/zinc/40/15/46/987401546.db2.gz UBNJPMJKXFNNBZ-UTUOFQBUSA-N 2 1 207.321 1.410 20 30 BDEDMP C[C@H](CCCC#N)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246133386 987480461 /nfs/dbraw/zinc/48/04/61/987480461.db2.gz NPDFOQKFICKCFH-MNOVXSKESA-N 2 1 207.321 1.410 20 30 BDEDMP N#CC12CCC([NH2+][C@H]3CCC[NH2+]C3)(CC1)CC2 ZINC001246268448 987663358 /nfs/dbraw/zinc/66/33/58/987663358.db2.gz YMZDPHNSJLPTKM-HSBZDZAISA-N 2 1 233.359 1.945 20 30 BDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)CC ZINC001246305029 987705224 /nfs/dbraw/zinc/70/52/24/987705224.db2.gz OBDIUKPMNXSBQP-RYUDHWBXSA-N 2 1 242.363 1.601 20 30 BDEDMP C[C@@H]1C[C@H]([NH2+]Cc2csc(C#N)c2)CC[NH2+]1 ZINC001246398463 987782520 /nfs/dbraw/zinc/78/25/20/987782520.db2.gz VTDWDRNABLLNDU-MWLCHTKSSA-N 2 1 235.356 1.850 20 30 BDEDMP N#Cc1csc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC001246503165 987856367 /nfs/dbraw/zinc/85/63/67/987856367.db2.gz JLBISXPVAMRZKC-UHFFFAOYSA-N 2 1 221.329 1.461 20 30 BDEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246529866 987884946 /nfs/dbraw/zinc/88/49/46/987884946.db2.gz MJQPEZYGAYFOBX-DOMZBBRYSA-N 2 1 243.354 1.912 20 30 BDEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246529866 987884950 /nfs/dbraw/zinc/88/49/50/987884950.db2.gz MJQPEZYGAYFOBX-DOMZBBRYSA-N 2 1 243.354 1.912 20 30 BDEDMP C[C@H](CCCC#N)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246547503 987930624 /nfs/dbraw/zinc/93/06/24/987930624.db2.gz QDDRXAKTFIUECA-WOPDTQHZSA-N 2 1 209.337 1.880 20 30 BDEDMP C[C@H](CCCC#N)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246547503 987930633 /nfs/dbraw/zinc/93/06/33/987930633.db2.gz QDDRXAKTFIUECA-WOPDTQHZSA-N 2 1 209.337 1.880 20 30 BDEDMP C#CC1CC[NH+]([C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246883934 988648204 /nfs/dbraw/zinc/64/82/04/988648204.db2.gz YQXKHHIZYPOZEL-AAEUAGOBSA-N 2 1 206.333 1.472 20 30 BDEDMP C=CC[N@@H+]([C@@H]1CCNC2(C[NH2+]C2)C1)C(C)(C)C ZINC001246921201 988725577 /nfs/dbraw/zinc/72/55/77/988725577.db2.gz OCSXAVBZKGDSQH-GFCCVEGCSA-N 2 1 237.391 1.367 20 30 BDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258731116 991671273 /nfs/dbraw/zinc/67/12/73/991671273.db2.gz ALNHZBLLZLTLAU-UPJWGTAASA-N 2 1 208.349 1.835 20 30 BDEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001258731116 991671278 /nfs/dbraw/zinc/67/12/78/991671278.db2.gz ALNHZBLLZLTLAU-UPJWGTAASA-N 2 1 208.349 1.835 20 30 BDEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001258731116 991671281 /nfs/dbraw/zinc/67/12/81/991671281.db2.gz ALNHZBLLZLTLAU-UPJWGTAASA-N 2 1 208.349 1.835 20 30 BDEDMP C=C(C)CC[N@@H+]1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC001574834417 992924061 /nfs/dbraw/zinc/92/40/61/992924061.db2.gz BQGKUAYXYGSYFT-CYBMUJFWSA-N 2 1 238.375 1.796 20 30 BDEDMP CC1(C)[C@H]([NH2+]CC#Cc2ccc(F)cc2)C[C@@H]1[NH3+] ZINC001576382252 993289663 /nfs/dbraw/zinc/28/96/63/993289663.db2.gz JHMODHZMMWJNRM-UONOGXRCSA-N 2 1 246.329 1.893 20 30 BDEDMP C=CCC[C@@H](CC)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336731028 136217903 /nfs/dbraw/zinc/21/79/03/136217903.db2.gz IRNCNQACKSSGDL-CHWSQXEVSA-N 2 1 226.364 1.387 20 30 BDEDMP C=CCC[C@@H](CC)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336731028 136217904 /nfs/dbraw/zinc/21/79/04/136217904.db2.gz IRNCNQACKSSGDL-CHWSQXEVSA-N 2 1 226.364 1.387 20 30 BDEDMP C[C@H](C#N)C[NH2+]Cc1cccc2nccn21 ZINC000183833406 346859540 /nfs/dbraw/zinc/85/95/40/346859540.db2.gz ATVMXYNMZBXKEF-SNVBAGLBSA-N 2 1 214.272 1.584 20 30 BDEDMP C[NH+](C)C[C@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602789373 349752298 /nfs/dbraw/zinc/75/22/98/349752298.db2.gz ZUSRETKOOFTUAB-GFCCVEGCSA-N 2 1 221.348 1.564 20 30 BDEDMP C[NH+](C)C[C@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602789373 349752299 /nfs/dbraw/zinc/75/22/99/349752299.db2.gz ZUSRETKOOFTUAB-GFCCVEGCSA-N 2 1 221.348 1.564 20 30 BDEDMP C=C(C)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363258297 136269165 /nfs/dbraw/zinc/26/91/65/136269165.db2.gz FKLFZWLYTVLBAO-HZSPNIEDSA-N 2 1 220.360 1.979 20 30 BDEDMP C=C(C)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363258297 136269166 /nfs/dbraw/zinc/26/91/66/136269166.db2.gz FKLFZWLYTVLBAO-HZSPNIEDSA-N 2 1 220.360 1.979 20 30 BDEDMP C=C(C)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363258297 136269167 /nfs/dbraw/zinc/26/91/67/136269167.db2.gz FKLFZWLYTVLBAO-HZSPNIEDSA-N 2 1 220.360 1.979 20 30 BDEDMP C=CCOCC[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000339011843 136280221 /nfs/dbraw/zinc/28/02/21/136280221.db2.gz UHKSPGIEKPZYJL-UHFFFAOYSA-N 2 1 240.391 1.995 20 30 BDEDMP CC#CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371292069 345585446 /nfs/dbraw/zinc/58/54/46/345585446.db2.gz AVLJJVAEDFPYFB-HZSPNIEDSA-N 2 1 236.359 1.193 20 30 BDEDMP CC#CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371292069 345585447 /nfs/dbraw/zinc/58/54/47/345585447.db2.gz AVLJJVAEDFPYFB-HZSPNIEDSA-N 2 1 236.359 1.193 20 30 BDEDMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000310040500 347222763 /nfs/dbraw/zinc/22/27/63/347222763.db2.gz XSWXEHGDFKZIFN-AVGNSLFASA-N 2 1 223.364 1.999 20 30 BDEDMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000310040500 347222767 /nfs/dbraw/zinc/22/27/67/347222767.db2.gz XSWXEHGDFKZIFN-AVGNSLFASA-N 2 1 223.364 1.999 20 30 BDEDMP C=CC[C@@H](CO)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623483549 362908159 /nfs/dbraw/zinc/90/81/59/362908159.db2.gz KERAAGPUISINIY-CHWSQXEVSA-N 2 1 240.391 1.633 20 30 BDEDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595889662 348390118 /nfs/dbraw/zinc/39/01/18/348390118.db2.gz UYPRFAOHXLCOSN-IUODEOHRSA-N 2 1 243.354 1.770 20 30 BDEDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595889665 348390153 /nfs/dbraw/zinc/39/01/53/348390153.db2.gz UYPRFAOHXLCOSN-WFASDCNBSA-N 2 1 243.354 1.770 20 30 BDEDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595889660 348390246 /nfs/dbraw/zinc/39/02/46/348390246.db2.gz UYPRFAOHXLCOSN-DOMZBBRYSA-N 2 1 243.354 1.770 20 30 BDEDMP C[C@@]1(C#N)CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000595905046 348395982 /nfs/dbraw/zinc/39/59/82/348395982.db2.gz PCNYUHTXURKQQW-STQMWFEESA-N 2 1 221.348 1.612 20 30 BDEDMP C[NH+](C)CCC[C@@H]1C[N@H+](CCCC#N)CCO1 ZINC000595907006 348397027 /nfs/dbraw/zinc/39/70/27/348397027.db2.gz QKSVJSJKXGXVKY-CYBMUJFWSA-N 2 1 239.363 1.333 20 30 BDEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCC#N)CCO1 ZINC000595907006 348397029 /nfs/dbraw/zinc/39/70/29/348397029.db2.gz QKSVJSJKXGXVKY-CYBMUJFWSA-N 2 1 239.363 1.333 20 30 BDEDMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000596651034 348606204 /nfs/dbraw/zinc/60/62/04/348606204.db2.gz OCGNFFSIIWACCI-WFASDCNBSA-N 2 1 243.354 1.688 20 30 BDEDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCC#N)C1 ZINC000336686285 350442397 /nfs/dbraw/zinc/44/23/97/350442397.db2.gz FZYJZYKBPQLYBW-AWEZNQCLSA-N 2 1 235.375 1.954 20 30 BDEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCC#N)C1 ZINC000336686285 350442400 /nfs/dbraw/zinc/44/24/00/350442400.db2.gz FZYJZYKBPQLYBW-AWEZNQCLSA-N 2 1 235.375 1.954 20 30 BDEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCC#N)C1 ZINC000336686285 350442403 /nfs/dbraw/zinc/44/24/03/350442403.db2.gz FZYJZYKBPQLYBW-AWEZNQCLSA-N 2 1 235.375 1.954 20 30 BDEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCC#N)C1 ZINC000336686285 350442406 /nfs/dbraw/zinc/44/24/06/350442406.db2.gz FZYJZYKBPQLYBW-AWEZNQCLSA-N 2 1 235.375 1.954 20 30 BDEDMP C=CCOCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000293803512 353768234 /nfs/dbraw/zinc/76/82/34/353768234.db2.gz NNQGVFXCLWZYBR-UHFFFAOYSA-N 2 1 237.347 1.716 20 30 BDEDMP C=CCOCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000293803512 353768238 /nfs/dbraw/zinc/76/82/38/353768238.db2.gz NNQGVFXCLWZYBR-UHFFFAOYSA-N 2 1 237.347 1.716 20 30 BDEDMP C=CC[NH+]1CCC(N[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000344269695 354187205 /nfs/dbraw/zinc/18/72/05/354187205.db2.gz CEVIGLVCPUXVCP-OCCSQVGLSA-N 2 1 237.391 1.177 20 30 BDEDMP C=CC[NH+]1CCC(N[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000344269695 354187208 /nfs/dbraw/zinc/18/72/08/354187208.db2.gz CEVIGLVCPUXVCP-OCCSQVGLSA-N 2 1 237.391 1.177 20 30 BDEDMP C=CCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755123 356658334 /nfs/dbraw/zinc/65/83/34/356658334.db2.gz GEZNZBZJHPCXJF-UHFFFAOYSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CCC[C@H](O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367846718 134216649 /nfs/dbraw/zinc/21/66/49/134216649.db2.gz CFPQDQVQCZBSQX-UONOGXRCSA-N 2 1 238.375 1.341 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367846718 134216650 /nfs/dbraw/zinc/21/66/50/134216650.db2.gz CFPQDQVQCZBSQX-UONOGXRCSA-N 2 1 238.375 1.341 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367846718 134216651 /nfs/dbraw/zinc/21/66/51/134216651.db2.gz CFPQDQVQCZBSQX-UONOGXRCSA-N 2 1 238.375 1.341 20 30 BDEDMP C=CCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193052412 357865850 /nfs/dbraw/zinc/86/58/50/357865850.db2.gz GSCRSZPFRXEUMV-AGUYFDCRSA-N 2 1 238.375 1.794 20 30 BDEDMP C=CCC[C@@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000126890309 358557607 /nfs/dbraw/zinc/55/76/07/358557607.db2.gz SRHIDBUXOYSSCN-CQSZACIVSA-N 2 1 240.391 1.776 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)COC)CC1 ZINC000153050689 201216793 /nfs/dbraw/zinc/21/67/93/201216793.db2.gz JKHCBWXCOIUJFR-GFCCVEGCSA-N 2 1 226.364 1.651 20 30 BDEDMP CC#CCC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000155947685 201375776 /nfs/dbraw/zinc/37/57/76/201375776.db2.gz JWSNXBMSQHFRJH-CYBMUJFWSA-N 2 1 208.349 1.673 20 30 BDEDMP CC#CCC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000155947685 201375778 /nfs/dbraw/zinc/37/57/78/201375778.db2.gz JWSNXBMSQHFRJH-CYBMUJFWSA-N 2 1 208.349 1.673 20 30 BDEDMP CC#CCC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000155947685 201375781 /nfs/dbraw/zinc/37/57/81/201375781.db2.gz JWSNXBMSQHFRJH-CYBMUJFWSA-N 2 1 208.349 1.673 20 30 BDEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000079909562 370703311 /nfs/dbraw/zinc/70/33/11/370703311.db2.gz MWRDUAWHYGLODF-DFBGVHRSSA-N 2 1 241.338 1.770 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCOC2)CC1 ZINC000165756429 203386693 /nfs/dbraw/zinc/38/66/93/203386693.db2.gz YQSHTUVSWPLMAV-CYBMUJFWSA-N 2 1 224.348 1.405 20 30 BDEDMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(C#N)o2)C[C@H]1C[NH3+] ZINC000600767389 369562469 /nfs/dbraw/zinc/56/24/69/369562469.db2.gz ASJRRYOQAPCIHA-GRYCIOLGSA-N 2 1 247.342 1.956 20 30 BDEDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C#N)o2)C[C@H]1C[NH3+] ZINC000600767389 369562471 /nfs/dbraw/zinc/56/24/71/369562471.db2.gz ASJRRYOQAPCIHA-GRYCIOLGSA-N 2 1 247.342 1.956 20 30 BDEDMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(C#N)o1 ZINC000600769624 369563390 /nfs/dbraw/zinc/56/33/90/369563390.db2.gz PVQUTBZVDPAALG-NXEZZACHSA-N 2 1 219.288 1.320 20 30 BDEDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(C#N)o1 ZINC000600769624 369563395 /nfs/dbraw/zinc/56/33/95/369563395.db2.gz PVQUTBZVDPAALG-NXEZZACHSA-N 2 1 219.288 1.320 20 30 BDEDMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(C#N)o2)C[C@@H]1C[NH3+] ZINC000600767392 369563954 /nfs/dbraw/zinc/56/39/54/369563954.db2.gz ASJRRYOQAPCIHA-WOPDTQHZSA-N 2 1 247.342 1.956 20 30 BDEDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C#N)o2)C[C@@H]1C[NH3+] ZINC000600767392 369563956 /nfs/dbraw/zinc/56/39/56/369563956.db2.gz ASJRRYOQAPCIHA-WOPDTQHZSA-N 2 1 247.342 1.956 20 30 BDEDMP C[N@@H+](CCC[NH3+])Cc1ccc(C#N)cc1 ZINC000227742615 371929310 /nfs/dbraw/zinc/92/93/10/371929310.db2.gz GLNKLWKGRQALJV-UHFFFAOYSA-N 2 1 203.289 1.339 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000424381000 206038104 /nfs/dbraw/zinc/03/81/04/206038104.db2.gz QKOCZOFAKVXCNI-RVMXOQNASA-N 2 1 224.348 1.165 20 30 BDEDMP C#CCCC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000375213604 533035681 /nfs/dbraw/zinc/03/56/81/533035681.db2.gz AATWDMVCMCFCEL-QWHCGFSZSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000375213604 533035684 /nfs/dbraw/zinc/03/56/84/533035684.db2.gz AATWDMVCMCFCEL-QWHCGFSZSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000375213604 533035687 /nfs/dbraw/zinc/03/56/87/533035687.db2.gz AATWDMVCMCFCEL-QWHCGFSZSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000375213604 533035692 /nfs/dbraw/zinc/03/56/92/533035692.db2.gz AATWDMVCMCFCEL-QWHCGFSZSA-N 2 1 206.333 1.426 20 30 BDEDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCCC#N)C1 ZINC000173891189 384277594 /nfs/dbraw/zinc/27/75/94/384277594.db2.gz HITMBQXBGXZVIB-CYBMUJFWSA-N 2 1 223.364 1.954 20 30 BDEDMP CC[NH+](C)C[C@H]1CC[N@H+](CCCCC#N)C1 ZINC000173891189 384277607 /nfs/dbraw/zinc/27/76/07/384277607.db2.gz HITMBQXBGXZVIB-CYBMUJFWSA-N 2 1 223.364 1.954 20 30 BDEDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCCC#N)C1 ZINC000173891189 384277613 /nfs/dbraw/zinc/27/76/13/384277613.db2.gz HITMBQXBGXZVIB-CYBMUJFWSA-N 2 1 223.364 1.954 20 30 BDEDMP C#CCC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374589722 533052114 /nfs/dbraw/zinc/05/21/14/533052114.db2.gz AEELSRAISFGTGW-AWEZNQCLSA-N 2 1 249.402 1.110 20 30 BDEDMP C=CC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000363710813 384722152 /nfs/dbraw/zinc/72/21/52/384722152.db2.gz FXITYPPRPSJNAE-BFHYXJOUSA-N 2 1 238.375 1.651 20 30 BDEDMP C[NH2+]CCC[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000414857213 384865214 /nfs/dbraw/zinc/86/52/14/384865214.db2.gz BWBHKAPFJFNNIW-UHFFFAOYSA-N 2 1 233.315 1.266 20 30 BDEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCC#N ZINC000309110992 385262606 /nfs/dbraw/zinc/26/26/06/385262606.db2.gz JQZWAKQOSDVAKN-WOPDTQHZSA-N 2 1 209.337 1.608 20 30 BDEDMP C=CCSCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000180457576 385390990 /nfs/dbraw/zinc/39/09/90/385390990.db2.gz ZQIXQBWANZPUMD-NWDGAFQWSA-N 2 1 228.405 1.978 20 30 BDEDMP C=CCOc1ccccc1C[NH2+]CCC[NH2+]C ZINC000414863079 385756746 /nfs/dbraw/zinc/75/67/46/385756746.db2.gz WRYNKNXTLBSHJB-UHFFFAOYSA-N 2 1 234.343 1.951 20 30 BDEDMP C=CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334453973 386103620 /nfs/dbraw/zinc/10/36/20/386103620.db2.gz MOBWLXXSDZLVBS-KBPBESRZSA-N 2 1 237.391 1.130 20 30 BDEDMP CC#CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365568261 386167766 /nfs/dbraw/zinc/16/77/66/386167766.db2.gz DRCOXBBWJNWYAL-MGPQQGTHSA-N 2 1 218.344 1.426 20 30 BDEDMP CC#CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365568261 386167768 /nfs/dbraw/zinc/16/77/68/386167768.db2.gz DRCOXBBWJNWYAL-MGPQQGTHSA-N 2 1 218.344 1.426 20 30 BDEDMP CC#CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365568261 386167774 /nfs/dbraw/zinc/16/77/74/386167774.db2.gz DRCOXBBWJNWYAL-MGPQQGTHSA-N 2 1 218.344 1.426 20 30 BDEDMP CC#CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365568261 386167777 /nfs/dbraw/zinc/16/77/77/386167777.db2.gz DRCOXBBWJNWYAL-MGPQQGTHSA-N 2 1 218.344 1.426 20 30 BDEDMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336777528 386424025 /nfs/dbraw/zinc/42/40/25/386424025.db2.gz ITCYAWAASSBRCM-JHJVBQTASA-N 2 1 223.364 1.999 20 30 BDEDMP C=CCN(CC=C)C[C@H](O)C[N@H+](C)C(C)C ZINC000647958146 386703976 /nfs/dbraw/zinc/70/39/76/386703976.db2.gz AXZZQZJRELOTEZ-CYBMUJFWSA-N 2 1 226.364 1.362 20 30 BDEDMP C=CCC[C@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423486223 387332492 /nfs/dbraw/zinc/33/24/92/387332492.db2.gz BGDJKKMQAKJGEG-KBPBESRZSA-N 2 1 239.407 1.615 20 30 BDEDMP C#CC[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000327980312 387601766 /nfs/dbraw/zinc/60/17/66/387601766.db2.gz IODDRLGUTOEXNC-ZIAGYGMSSA-N 2 1 237.391 1.014 20 30 BDEDMP C#CC[N@@H+](C)CCCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000327980312 387601769 /nfs/dbraw/zinc/60/17/69/387601769.db2.gz IODDRLGUTOEXNC-ZIAGYGMSSA-N 2 1 237.391 1.014 20 30 BDEDMP C#CC[N@H+](C)CCCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000327980312 387601773 /nfs/dbraw/zinc/60/17/73/387601773.db2.gz IODDRLGUTOEXNC-ZIAGYGMSSA-N 2 1 237.391 1.014 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCC[NH3+])CC1 ZINC000422979762 387792068 /nfs/dbraw/zinc/79/20/68/387792068.db2.gz NSTHVGQKPNMSCL-CYBMUJFWSA-N 3 1 239.407 1.744 20 30 BDEDMP C[N@@H+]1C[C@H]2CN(CC#Cc3ccccc3)C[C@H]2C1 ZINC000193624285 387858846 /nfs/dbraw/zinc/85/88/46/387858846.db2.gz BLGKPBUJRVGSSJ-IYBDPMFKSA-N 2 1 240.350 1.532 20 30 BDEDMP C#CC[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000491620084 388305425 /nfs/dbraw/zinc/30/54/25/388305425.db2.gz FVFSNEPYRYXPJT-UHFFFAOYSA-N 2 1 217.316 1.450 20 30 BDEDMP C#CC[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000491620084 388305426 /nfs/dbraw/zinc/30/54/26/388305426.db2.gz FVFSNEPYRYXPJT-UHFFFAOYSA-N 2 1 217.316 1.450 20 30 BDEDMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000271939744 388413922 /nfs/dbraw/zinc/41/39/22/388413922.db2.gz YPPAKLTZZAZSLY-UHFFFAOYSA-N 2 1 247.367 1.971 20 30 BDEDMP N#CCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000573249927 388436003 /nfs/dbraw/zinc/43/60/03/388436003.db2.gz NEHIEADDBLWILO-UONOGXRCSA-N 2 1 229.327 1.722 20 30 BDEDMP C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)C1C[NH2+]C1 ZINC000423021811 388686430 /nfs/dbraw/zinc/68/64/30/388686430.db2.gz CYNOZIHSYZMVCW-NSHDSACASA-N 2 1 241.338 1.745 20 30 BDEDMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423201203 388688187 /nfs/dbraw/zinc/68/81/87/388688187.db2.gz NYMOKAYQNNKOCY-JTQLQIEISA-N 2 1 235.306 1.957 20 30 BDEDMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000423303151 388691011 /nfs/dbraw/zinc/69/10/11/388691011.db2.gz LBUWAZCGGAYGMS-SECBINFHSA-N 2 1 233.290 1.567 20 30 BDEDMP C[NH+](CC#CC[N@H+](C)C1CCC1)C1CCC1 ZINC000357639417 134184486 /nfs/dbraw/zinc/18/44/86/134184486.db2.gz XGGVMTJVLPMNHM-UHFFFAOYSA-N 2 1 220.360 1.958 20 30 BDEDMP CC#CCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000370422789 134225934 /nfs/dbraw/zinc/22/59/34/134225934.db2.gz SIYPJYOPJADNLG-OAHLLOKOSA-N 2 1 249.402 1.112 20 30 BDEDMP CC#CCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000370422789 134225935 /nfs/dbraw/zinc/22/59/35/134225935.db2.gz SIYPJYOPJADNLG-OAHLLOKOSA-N 2 1 249.402 1.112 20 30 BDEDMP C=C(C)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371296065 134228356 /nfs/dbraw/zinc/22/83/56/134228356.db2.gz WSBHFBKCXDHXCH-HZSPNIEDSA-N 2 1 238.375 1.746 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000305069535 134239482 /nfs/dbraw/zinc/23/94/82/134239482.db2.gz IXNVXLYSXTUDCI-ZIAGYGMSSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CCC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000305069535 134239483 /nfs/dbraw/zinc/23/94/83/134239483.db2.gz IXNVXLYSXTUDCI-ZIAGYGMSSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CCC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000305069535 134239484 /nfs/dbraw/zinc/23/94/84/134239484.db2.gz IXNVXLYSXTUDCI-ZIAGYGMSSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375902812 134241235 /nfs/dbraw/zinc/24/12/35/134241235.db2.gz GPSHWMZSQTZAKG-CQSZACIVSA-N 2 1 237.391 1.273 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337230851 135008691 /nfs/dbraw/zinc/00/86/91/135008691.db2.gz TXNNOWVRMBQGBA-CQSZACIVSA-N 2 1 240.391 1.731 20 30 BDEDMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CC[C@H](C#N)C3)C2)C1 ZINC000339211205 135066004 /nfs/dbraw/zinc/06/60/04/135066004.db2.gz FZNZLXIFWWRCKP-MJBXVCDLSA-N 2 1 233.359 1.706 20 30 BDEDMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CC[C@H](C#N)C3)C2)C1 ZINC000339211205 135066006 /nfs/dbraw/zinc/06/60/06/135066006.db2.gz FZNZLXIFWWRCKP-MJBXVCDLSA-N 2 1 233.359 1.706 20 30 BDEDMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CC[C@H](C#N)C3)C2)C1 ZINC000339211205 135066009 /nfs/dbraw/zinc/06/60/09/135066009.db2.gz FZNZLXIFWWRCKP-MJBXVCDLSA-N 2 1 233.359 1.706 20 30 BDEDMP C=C(C)CNC(=[NH2+])NCCCCn1cc[nH+]c1C ZINC000267396563 135154014 /nfs/dbraw/zinc/15/40/14/135154014.db2.gz FDHZWASCGHEUMG-UHFFFAOYSA-N 2 1 249.362 1.452 20 30 BDEDMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000261565249 135206678 /nfs/dbraw/zinc/20/66/78/135206678.db2.gz CZWSCMCLDVWCPY-DCAQKATOSA-N 2 1 217.316 1.945 20 30 BDEDMP C[C@H](CNC(=[NH2+])NC1CC1)[N@H+]1CCCC[C@@H]1C ZINC000261709260 135247329 /nfs/dbraw/zinc/24/73/29/135247329.db2.gz DIQWJSWIBGXHLT-WDEREUQCSA-N 2 1 238.379 1.316 20 30 BDEDMP C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261867322 135258484 /nfs/dbraw/zinc/25/84/84/135258484.db2.gz CTEFPMDYJZHJGX-IGQOVBAYSA-N 2 1 238.375 1.698 20 30 BDEDMP [NH2+]=C(NC1CCCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000262454258 135300506 /nfs/dbraw/zinc/30/05/06/135300506.db2.gz SNVHXGWVVSPUDX-NSHDSACASA-N 2 1 247.346 1.045 20 30 BDEDMP C[C@H](CNC1=[NH+]C[C@H](C)N1)[N@H+]1CCC[C@@H](C)C1 ZINC000262634748 135310089 /nfs/dbraw/zinc/31/00/89/135310089.db2.gz GOSAPTIWTOISLR-GRYCIOLGSA-N 2 1 238.379 1.044 20 30 BDEDMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=[NH2+])N1CCC1 ZINC000263041562 135328801 /nfs/dbraw/zinc/32/88/01/135328801.db2.gz CIXLRAURCJMBAL-LLVKDONJSA-N 2 1 238.379 1.127 20 30 BDEDMP N#Cc1cccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000334447697 398092231 /nfs/dbraw/zinc/09/22/31/398092231.db2.gz MZYVQLYBUCABPX-OAHLLOKOSA-N 2 1 241.338 1.744 20 30 BDEDMP N#Cc1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000334447697 398092232 /nfs/dbraw/zinc/09/22/32/398092232.db2.gz MZYVQLYBUCABPX-OAHLLOKOSA-N 2 1 241.338 1.744 20 30 BDEDMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)CCCC#N)C[C@@H]2C1 ZINC001172500893 974854079 /nfs/dbraw/zinc/85/40/79/974854079.db2.gz CCHLSHNGXPIYAT-MCIONIFRSA-N 2 1 235.375 1.952 20 30 BDEDMP C=C(C)CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323992 409639502 /nfs/dbraw/zinc/63/95/02/409639502.db2.gz RUBVTZVXDOXLFR-CQSZACIVSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000651953044 409573310 /nfs/dbraw/zinc/57/33/10/409573310.db2.gz OHHPSIYLKUCPOD-JHJVBQTASA-N 2 1 226.364 1.243 20 30 BDEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000651953042 409574108 /nfs/dbraw/zinc/57/41/08/409574108.db2.gz OHHPSIYLKUCPOD-AGIUHOORSA-N 2 1 226.364 1.243 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]CC2=CCCOC2)CC1 ZINC000178165289 166353061 /nfs/dbraw/zinc/35/30/61/166353061.db2.gz GWHMMVAGDZJKKF-UHFFFAOYSA-N 2 1 236.359 1.573 20 30 BDEDMP C=CCOCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000302387516 411137194 /nfs/dbraw/zinc/13/71/94/411137194.db2.gz MRRKOIHOINVCEV-ZIAGYGMSSA-N 2 1 232.327 1.923 20 30 BDEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000651762845 411142371 /nfs/dbraw/zinc/14/23/71/411142371.db2.gz SMIOJQXLPHMJFP-MCIONIFRSA-N 2 1 238.375 1.387 20 30 BDEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000651762845 411142372 /nfs/dbraw/zinc/14/23/72/411142372.db2.gz SMIOJQXLPHMJFP-MCIONIFRSA-N 2 1 238.375 1.387 20 30 BDEDMP C=CCOCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000658210101 411294520 /nfs/dbraw/zinc/29/45/20/411294520.db2.gz OCZLOMIAJQYUBI-CHWSQXEVSA-N 2 1 226.364 1.651 20 30 BDEDMP C=C[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655722505 411295494 /nfs/dbraw/zinc/29/54/94/411295494.db2.gz CHJHKLUJJKRJQI-OCCSQVGLSA-N 2 1 238.375 1.794 20 30 BDEDMP C=CCC[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000656702652 411337855 /nfs/dbraw/zinc/33/78/55/411337855.db2.gz FZRGDZBUPAMXBH-OAHLLOKOSA-N 2 1 248.370 1.645 20 30 BDEDMP C=CCC[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000656702652 411337858 /nfs/dbraw/zinc/33/78/58/411337858.db2.gz FZRGDZBUPAMXBH-OAHLLOKOSA-N 2 1 248.370 1.645 20 30 BDEDMP C=C(C)CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152320 412009882 /nfs/dbraw/zinc/00/98/82/412009882.db2.gz RNEOVRCOZUVNKG-CQSZACIVSA-N 2 1 238.375 1.484 20 30 BDEDMP C=CC[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000662299446 412085715 /nfs/dbraw/zinc/08/57/15/412085715.db2.gz PWZNFOYHNULABH-GFCCVEGCSA-N 2 1 212.337 1.250 20 30 BDEDMP C=CC[N@@H+](CCC[NH2+]C)[C@H](C)COC ZINC000662298808 412086199 /nfs/dbraw/zinc/08/61/99/412086199.db2.gz HFQKLDNEVVLCFQ-LLVKDONJSA-N 2 1 200.326 1.119 20 30 BDEDMP C=CC[N@H+](CCC[NH2+]C)[C@H](C)COC ZINC000662298808 412086202 /nfs/dbraw/zinc/08/62/02/412086202.db2.gz HFQKLDNEVVLCFQ-LLVKDONJSA-N 2 1 200.326 1.119 20 30 BDEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000442712390 323180255 /nfs/dbraw/zinc/18/02/55/323180255.db2.gz GHLKKBIFKQMCMX-RQJABVFESA-N 2 1 233.359 1.895 20 30 BDEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000442712390 323180256 /nfs/dbraw/zinc/18/02/56/323180256.db2.gz GHLKKBIFKQMCMX-RQJABVFESA-N 2 1 233.359 1.895 20 30 BDEDMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000309117472 323318955 /nfs/dbraw/zinc/31/89/55/323318955.db2.gz ROYKUPUGAHTDHD-UWVGGRQHSA-N 2 1 203.289 1.384 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]CC2(O)CCCC2)CC1 ZINC000568381966 326351971 /nfs/dbraw/zinc/35/19/71/326351971.db2.gz FKWVBVKVYZOSSG-UHFFFAOYSA-N 2 1 238.375 1.532 20 30 BDEDMP C=C(C)[C@H](CO)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000677480970 488049372 /nfs/dbraw/zinc/04/93/72/488049372.db2.gz YUAJJMDGWKBIFB-KBPBESRZSA-N 2 1 240.391 1.730 20 30 BDEDMP C=C(C)[C@H](CO)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000677480970 488049377 /nfs/dbraw/zinc/04/93/77/488049377.db2.gz YUAJJMDGWKBIFB-KBPBESRZSA-N 2 1 240.391 1.730 20 30 BDEDMP C=C(C)[C@H](CO)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000677480970 488049382 /nfs/dbraw/zinc/04/93/82/488049382.db2.gz YUAJJMDGWKBIFB-KBPBESRZSA-N 2 1 240.391 1.730 20 30 BDEDMP C=C(C)[C@H](CO)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000677480970 488049385 /nfs/dbraw/zinc/04/93/85/488049385.db2.gz YUAJJMDGWKBIFB-KBPBESRZSA-N 2 1 240.391 1.730 20 30 BDEDMP C=C(C)[C@H](CO)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000680076262 487533855 /nfs/dbraw/zinc/53/38/55/487533855.db2.gz KVTGADIKXWTJPX-ZDUSSCGKSA-N 2 1 238.375 1.484 20 30 BDEDMP C=C(C)[C@H](CO)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000680076262 487533859 /nfs/dbraw/zinc/53/38/59/487533859.db2.gz KVTGADIKXWTJPX-ZDUSSCGKSA-N 2 1 238.375 1.484 20 30 BDEDMP C=CCCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000120574900 534707288 /nfs/dbraw/zinc/70/72/88/534707288.db2.gz YPJJHIZEZDEUNQ-UHFFFAOYSA-N 2 1 239.407 1.522 20 30 BDEDMP C=CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363415002 534855085 /nfs/dbraw/zinc/85/50/85/534855085.db2.gz SWIKDAFOAJUQGC-AGIUHOORSA-N 2 1 206.333 1.589 20 30 BDEDMP C=CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363415002 534855087 /nfs/dbraw/zinc/85/50/87/534855087.db2.gz SWIKDAFOAJUQGC-AGIUHOORSA-N 2 1 206.333 1.589 20 30 BDEDMP C=CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363415002 534855090 /nfs/dbraw/zinc/85/50/90/534855090.db2.gz SWIKDAFOAJUQGC-AGIUHOORSA-N 2 1 206.333 1.589 20 30 BDEDMP C=CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363415002 534855092 /nfs/dbraw/zinc/85/50/92/534855092.db2.gz SWIKDAFOAJUQGC-AGIUHOORSA-N 2 1 206.333 1.589 20 30 BDEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000261986805 534949279 /nfs/dbraw/zinc/94/92/79/534949279.db2.gz KHPWJRVKIZRWEG-LLVKDONJSA-N 2 1 240.395 1.421 20 30 BDEDMP CCN(CC)C(=[NH2+])NCCCn1cc[nH+]c1C ZINC000264121700 535388858 /nfs/dbraw/zinc/38/88/58/535388858.db2.gz VFNQEGBKYDPXGX-UHFFFAOYSA-N 2 1 237.351 1.238 20 30 BDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(C)C ZINC000104152747 583107084 /nfs/dbraw/zinc/10/70/84/583107084.db2.gz VNVYNHROUKFNMQ-GFCCVEGCSA-N 2 1 240.395 1.421 20 30 BDEDMP CC[N@H+](CCNC(=[NH2+])N1CCCCC1)C1CC1 ZINC000104191664 583162989 /nfs/dbraw/zinc/16/29/89/583162989.db2.gz UFJCCCXXEAGIHC-UHFFFAOYSA-N 2 1 238.379 1.271 20 30 BDEDMP CC[N@@H+](CCNC(=[NH2+])N1CCCCC1)C1CC1 ZINC000104191664 583162990 /nfs/dbraw/zinc/16/29/90/583162990.db2.gz UFJCCCXXEAGIHC-UHFFFAOYSA-N 2 1 238.379 1.271 20 30 BDEDMP C#CC[C@@H](COC)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858335394 588944079 /nfs/dbraw/zinc/94/40/79/588944079.db2.gz YTCYAGMGXQQAQS-OLZOCXBDSA-N 2 1 238.375 1.487 20 30 BDEDMP C=CCCC[N@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903850913 584808348 /nfs/dbraw/zinc/80/83/48/584808348.db2.gz ZSIHRIRYEUMLIQ-CYBMUJFWSA-N 2 1 238.375 1.796 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903871771 584815130 /nfs/dbraw/zinc/81/51/30/584815130.db2.gz VETUXAKVMNJSKO-OLZOCXBDSA-N 2 1 224.348 1.141 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903871771 584815132 /nfs/dbraw/zinc/81/51/32/584815132.db2.gz VETUXAKVMNJSKO-OLZOCXBDSA-N 2 1 224.348 1.141 20 30 BDEDMP N#Cc1ccc2c(c1)C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904376349 584876236 /nfs/dbraw/zinc/87/62/36/584876236.db2.gz PIXZWDOHINZPPJ-VDISTLRHSA-N 2 1 227.311 1.611 20 30 BDEDMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000817979949 584994785 /nfs/dbraw/zinc/99/47/85/584994785.db2.gz QLVRARBVEOZSKX-YPMHNXCESA-N 2 1 247.342 1.977 20 30 BDEDMP C#CCCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000766902355 585510130 /nfs/dbraw/zinc/51/01/30/585510130.db2.gz GRELTRFRJBGYBC-STQMWFEESA-N 2 1 208.349 1.814 20 30 BDEDMP C#CCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000766902355 585510131 /nfs/dbraw/zinc/51/01/31/585510131.db2.gz GRELTRFRJBGYBC-STQMWFEESA-N 2 1 208.349 1.814 20 30 BDEDMP C#CCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000766902355 585510132 /nfs/dbraw/zinc/51/01/32/585510132.db2.gz GRELTRFRJBGYBC-STQMWFEESA-N 2 1 208.349 1.814 20 30 BDEDMP C#CCCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000766902355 585510133 /nfs/dbraw/zinc/51/01/33/585510133.db2.gz GRELTRFRJBGYBC-STQMWFEESA-N 2 1 208.349 1.814 20 30 BDEDMP C[NH+](C)[C@H]1CCCC(=NN2CC[NH+](C)CC2)C1 ZINC000788409624 585922749 /nfs/dbraw/zinc/92/27/49/585922749.db2.gz VUHPEPAATOQZHM-ZDUSSCGKSA-N 2 1 238.379 1.094 20 30 BDEDMP C#CCC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000796575204 586107103 /nfs/dbraw/zinc/10/71/03/586107103.db2.gz KKBIMIRXYUCLLS-UHFFFAOYSA-N 2 1 245.326 1.236 20 30 BDEDMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1C#N ZINC000817915090 586839146 /nfs/dbraw/zinc/83/91/46/586839146.db2.gz HXKKPAWSCGFINN-CHWSQXEVSA-N 2 1 245.326 1.536 20 30 BDEDMP C[NH+]=C(NCCC[N@@H+](C)C(C)C)NC1CC1 ZINC000848988030 588426242 /nfs/dbraw/zinc/42/62/42/588426242.db2.gz ZNDWLCOLDFPLCL-UHFFFAOYSA-N 2 1 226.368 1.044 20 30 BDEDMP C=C(C)CNC(=[NH2+])NCC[C@@H]1CCC[N@H+](C)C1 ZINC000849041356 588447959 /nfs/dbraw/zinc/44/79/59/588447959.db2.gz QPOBEJUQSAREQI-LBPRGKRZSA-N 2 1 238.379 1.408 20 30 BDEDMP C#CCOCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000851813076 588632421 /nfs/dbraw/zinc/63/24/21/588632421.db2.gz PJYVUKYUJQJMJB-KBPBESRZSA-N 2 1 236.359 1.052 20 30 BDEDMP C#CCOCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000851813076 588632422 /nfs/dbraw/zinc/63/24/22/588632422.db2.gz PJYVUKYUJQJMJB-KBPBESRZSA-N 2 1 236.359 1.052 20 30 BDEDMP C#CCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852760707 588701047 /nfs/dbraw/zinc/70/10/47/588701047.db2.gz LZCGKVTWERDKJL-ZDUSSCGKSA-N 2 1 224.348 1.052 20 30 BDEDMP C=CC[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000878315095 590542178 /nfs/dbraw/zinc/54/21/78/590542178.db2.gz FWEZXWTYNHMERZ-AWEZNQCLSA-N 2 1 239.407 1.520 20 30 BDEDMP C#CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260784 590980615 /nfs/dbraw/zinc/98/06/15/590980615.db2.gz FRBSDENQSIDBQB-GFCCVEGCSA-N 2 1 215.300 1.225 20 30 BDEDMP C#CC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260784 590980617 /nfs/dbraw/zinc/98/06/17/590980617.db2.gz FRBSDENQSIDBQB-GFCCVEGCSA-N 2 1 215.300 1.225 20 30 BDEDMP CC#CCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473327 591053923 /nfs/dbraw/zinc/05/39/23/591053923.db2.gz CGMAOMUESCCVJA-UHFFFAOYSA-N 2 1 220.360 1.960 20 30 BDEDMP C=CCC[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000130576252 591483909 /nfs/dbraw/zinc/48/39/09/591483909.db2.gz NYFLZWFCBXMBJU-MJBXVCDLSA-N 2 1 238.375 1.794 20 30 BDEDMP C=CCC[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000130576252 591483910 /nfs/dbraw/zinc/48/39/10/591483910.db2.gz NYFLZWFCBXMBJU-MJBXVCDLSA-N 2 1 238.375 1.794 20 30 BDEDMP C#CCN1CCC[C@@H]([NH2+]C2CC[NH+](CC)CC2)C1 ZINC000886659424 592293370 /nfs/dbraw/zinc/29/33/70/592293370.db2.gz MBJLFUGETZBPQY-OAHLLOKOSA-N 2 1 249.402 1.158 20 30 BDEDMP C#CCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132452 592449488 /nfs/dbraw/zinc/44/94/88/592449488.db2.gz GCFHZKHNUVYZRE-CYBMUJFWSA-N 2 1 229.327 1.615 20 30 BDEDMP CCN(CC)C(=[NH2+])NC[C@H](C)[N@@H+](C)C1CC1 ZINC000104192955 592604530 /nfs/dbraw/zinc/60/45/30/592604530.db2.gz LVFQLRHVZRTNOQ-JTQLQIEISA-N 2 1 226.368 1.126 20 30 BDEDMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000925714957 634435838 /nfs/dbraw/zinc/43/58/38/634435838.db2.gz ZXBNPVYBPDUQFA-CQSZACIVSA-N 2 1 243.354 1.831 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C#N)cs1 ZINC000328219874 633741748 /nfs/dbraw/zinc/74/17/48/633741748.db2.gz ZMLIZHBSBXPAEC-UHFFFAOYSA-N 2 1 247.367 1.664 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C#N)cs1 ZINC000328219874 633741752 /nfs/dbraw/zinc/74/17/52/633741752.db2.gz ZMLIZHBSBXPAEC-UHFFFAOYSA-N 2 1 247.367 1.664 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(CO)cc1 ZINC000328290778 633753629 /nfs/dbraw/zinc/75/36/29/633753629.db2.gz RLDJOKQAWRVNGL-UHFFFAOYSA-N 2 1 246.354 1.224 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(CO)cc1 ZINC000328290778 633753633 /nfs/dbraw/zinc/75/36/33/633753633.db2.gz RLDJOKQAWRVNGL-UHFFFAOYSA-N 2 1 246.354 1.224 20 30 BDEDMP C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)[C@H]1CC[NH2+]C1 ZINC000925811252 635366129 /nfs/dbraw/zinc/36/61/29/635366129.db2.gz COPBTURMWNXMDR-PWSUYJOCSA-N 2 1 247.317 1.785 20 30 BDEDMP CC[NH+]=C(NC[C@@H](C)[NH+](C)C)NC(C)(C)C ZINC000912499165 640095463 /nfs/dbraw/zinc/09/54/63/640095463.db2.gz MWFMUYGELQUKEP-SNVBAGLBSA-N 2 1 228.384 1.290 20 30 BDEDMP CC(C)[NH+]=C(NC[C@H](C)[NH+](C)C)NC(C)(C)C ZINC000912509625 640100893 /nfs/dbraw/zinc/10/08/93/640100893.db2.gz MCKSQOMBZNKWLS-NSHDSACASA-N 2 1 242.411 1.679 20 30 BDEDMP C=CCNC(NC[C@@H](C)[NH+](C)C)=[NH+]C(C)(C)C ZINC000912497388 640108340 /nfs/dbraw/zinc/10/83/40/640108340.db2.gz SISBYTDUURAVIW-LLVKDONJSA-N 2 1 240.395 1.456 20 30 BDEDMP C=CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277696 640129193 /nfs/dbraw/zinc/12/91/93/640129193.db2.gz NAZCXADNWQSJRH-ITGUQSILSA-N 2 1 208.349 1.835 20 30 BDEDMP C=CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277696 640129195 /nfs/dbraw/zinc/12/91/95/640129195.db2.gz NAZCXADNWQSJRH-ITGUQSILSA-N 2 1 208.349 1.835 20 30 BDEDMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC000931438856 640203182 /nfs/dbraw/zinc/20/31/82/640203182.db2.gz QFUJXSVRHQJVJV-YIYPIFLZSA-N 2 1 233.359 1.562 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC000931438856 640203187 /nfs/dbraw/zinc/20/31/87/640203187.db2.gz QFUJXSVRHQJVJV-YIYPIFLZSA-N 2 1 233.359 1.562 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC000931438856 640203190 /nfs/dbraw/zinc/20/31/90/640203190.db2.gz QFUJXSVRHQJVJV-YIYPIFLZSA-N 2 1 233.359 1.562 20 30 BDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164391214 640475566 /nfs/dbraw/zinc/47/55/66/640475566.db2.gz KPLGPMPVLRHDEK-AXFHLTTASA-N 2 1 214.740 1.798 20 30 BDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000164391214 640475572 /nfs/dbraw/zinc/47/55/72/640475572.db2.gz KPLGPMPVLRHDEK-AXFHLTTASA-N 2 1 214.740 1.798 20 30 BDEDMP C=CC[C@H](C)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933735349 640756251 /nfs/dbraw/zinc/75/62/51/640756251.db2.gz WAOJATUTYLZUMB-RWMBFGLXSA-N 2 1 208.349 1.835 20 30 BDEDMP C=CC[C@H](C)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933735349 640756256 /nfs/dbraw/zinc/75/62/56/640756256.db2.gz WAOJATUTYLZUMB-RWMBFGLXSA-N 2 1 208.349 1.835 20 30 BDEDMP C=CC[C@H](C)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933735349 640756260 /nfs/dbraw/zinc/75/62/60/640756260.db2.gz WAOJATUTYLZUMB-RWMBFGLXSA-N 2 1 208.349 1.835 20 30 BDEDMP C=CC[C@H](C)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933735349 640756261 /nfs/dbraw/zinc/75/62/61/640756261.db2.gz WAOJATUTYLZUMB-RWMBFGLXSA-N 2 1 208.349 1.835 20 30 BDEDMP C#C[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000229892800 640992254 /nfs/dbraw/zinc/99/22/54/640992254.db2.gz VUKJZWJLAVFSCJ-ODWCKFRGSA-N 2 1 206.333 1.613 20 30 BDEDMP CCC[N@@H+](CC)CCNC(=[NH2+])N[C@@H](C)CC ZINC000173245962 641164398 /nfs/dbraw/zinc/16/43/98/641164398.db2.gz GCHLZZIGOYQUGB-NSHDSACASA-N 2 1 228.384 1.421 20 30 BDEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])N(C)C1CC1 ZINC000305829608 642703610 /nfs/dbraw/zinc/70/36/10/642703610.db2.gz STNZPBHRDYOVNX-LBPRGKRZSA-N 2 1 238.379 1.270 20 30 BDEDMP C#CCSCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000181098135 642837414 /nfs/dbraw/zinc/83/74/14/642837414.db2.gz UZKLIQCQLBKXIM-NWDGAFQWSA-N 2 1 226.389 1.425 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000923294682 644332817 /nfs/dbraw/zinc/33/28/17/644332817.db2.gz OHYMPTYTXWEHCB-LLVKDONJSA-N 2 1 214.353 1.230 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000923280587 644314129 /nfs/dbraw/zinc/31/41/29/644314129.db2.gz BURLHOFDNDEWOL-QWHCGFSZSA-N 2 1 226.364 1.245 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000923286877 644319854 /nfs/dbraw/zinc/31/98/54/644319854.db2.gz AXPZPYYXRWIJFF-AGIUHOORSA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000923286877 644319858 /nfs/dbraw/zinc/31/98/58/644319858.db2.gz AXPZPYYXRWIJFF-AGIUHOORSA-N 2 1 226.364 1.373 20 30 BDEDMP C=CC[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923397745 644405087 /nfs/dbraw/zinc/40/50/87/644405087.db2.gz GKENZRMSHFFOQU-CHWSQXEVSA-N 2 1 236.359 1.263 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2ccncc2C#N)CC[C@@H]1C[NH3+] ZINC000923493860 644469527 /nfs/dbraw/zinc/46/95/27/644469527.db2.gz ITCBBLCZFKAUKJ-NWDGAFQWSA-N 2 1 244.342 1.370 20 30 BDEDMP C[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)NC1CC1 ZINC000303408358 644822099 /nfs/dbraw/zinc/82/20/99/644822099.db2.gz UCIVJJANUURYBQ-NSHDSACASA-N 2 1 238.379 1.188 20 30 BDEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])N1CCCCC1 ZINC000303972477 644861358 /nfs/dbraw/zinc/86/13/58/644861358.db2.gz FTXSKBKKBDZGEF-GFCCVEGCSA-N 2 1 240.395 1.517 20 30 BDEDMP CCCC[N@@H+](C)CCNC(=[NH2+])NCC1CCC1 ZINC000304743909 644928630 /nfs/dbraw/zinc/92/86/30/644928630.db2.gz DLPGXBFYXLDUTN-UHFFFAOYSA-N 2 1 240.395 1.423 20 30 BDEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CCCC[N@@H+]1CC ZINC000304758273 644930765 /nfs/dbraw/zinc/93/07/65/644930765.db2.gz PTZTUNTYGUROAI-GFCCVEGCSA-N 2 1 238.379 1.341 20 30 BDEDMP C#CC[NH+](C)CCCC[N@@H+](CC#C)C[C@@H]1C[C@@H]1C ZINC000859740541 645686285 /nfs/dbraw/zinc/68/62/85/645686285.db2.gz NUPCXZFQHJJWLH-HOTGVXAUSA-N 2 1 246.398 1.923 20 30 BDEDMP C#CC[NH+](CCCC[N@H+](C)CC#C)C[C@@H]1C[C@@H]1C ZINC000859740541 645686289 /nfs/dbraw/zinc/68/62/89/645686289.db2.gz NUPCXZFQHJJWLH-HOTGVXAUSA-N 2 1 246.398 1.923 20 30 BDEDMP C#CC[NH+](CCCC[N@@H+](C)CC#C)C[C@@H]1C[C@@H]1C ZINC000859740541 645686294 /nfs/dbraw/zinc/68/62/94/645686294.db2.gz NUPCXZFQHJJWLH-HOTGVXAUSA-N 2 1 246.398 1.923 20 30 BDEDMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000925710813 646434425 /nfs/dbraw/zinc/43/44/25/646434425.db2.gz WMNTVGQOJZWODP-KXNHARMFSA-N 2 1 207.321 1.409 20 30 BDEDMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(C#N)ccc1F ZINC000925815254 646492590 /nfs/dbraw/zinc/49/25/90/646492590.db2.gz VAQXGRFPAQGQAU-VHSXEESVSA-N 2 1 235.306 1.913 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000926489298 646659142 /nfs/dbraw/zinc/65/91/42/646659142.db2.gz GKVSVJZJWWLIBW-CHWSQXEVSA-N 2 1 238.375 1.202 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000926489298 646659145 /nfs/dbraw/zinc/65/91/45/646659145.db2.gz GKVSVJZJWWLIBW-CHWSQXEVSA-N 2 1 238.375 1.202 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccccc1O ZINC000383100185 711666726 /nfs/dbraw/zinc/66/67/26/711666726.db2.gz ZWUQAKFOXWYZRN-UHFFFAOYSA-N 2 1 232.327 1.437 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccc1O ZINC000383100185 711666727 /nfs/dbraw/zinc/66/67/27/711666727.db2.gz ZWUQAKFOXWYZRN-UHFFFAOYSA-N 2 1 232.327 1.437 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C1CCC1 ZINC000378849755 712366562 /nfs/dbraw/zinc/36/65/62/712366562.db2.gz DGZFSCKDJYKSTL-LBPRGKRZSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C1CCC1 ZINC000378849755 712366564 /nfs/dbraw/zinc/36/65/64/712366564.db2.gz DGZFSCKDJYKSTL-LBPRGKRZSA-N 2 1 208.349 1.720 20 30 BDEDMP C[C@@H]1CC(N=NC(N)=[NH2+])C[N@H+]1Cc1ccccc1 ZINC000381908337 710758374 /nfs/dbraw/zinc/75/83/74/710758374.db2.gz JKWKPNSOMXPYBR-SNVBAGLBSA-N 2 1 245.330 1.120 20 30 BDEDMP C=CC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000390654097 711130550 /nfs/dbraw/zinc/13/05/50/711130550.db2.gz QDFYFOWODGQWJY-ODWCKFRGSA-N 2 1 224.348 1.138 20 30 BDEDMP CC[NH+]1CCC([N@H+](C)CCO[C@@H](C)C#N)CC1 ZINC000383035615 710841652 /nfs/dbraw/zinc/84/16/52/710841652.db2.gz FNWLPJXWCRKTTB-LBPRGKRZSA-N 2 1 239.363 1.331 20 30 BDEDMP CC[NH+]1CCC([N@@H+](C)CCO[C@@H](C)C#N)CC1 ZINC000383035615 710841655 /nfs/dbraw/zinc/84/16/55/710841655.db2.gz FNWLPJXWCRKTTB-LBPRGKRZSA-N 2 1 239.363 1.331 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](CCC)OC ZINC000385973610 711021186 /nfs/dbraw/zinc/02/11/86/711021186.db2.gz HBHVWLXJLQDRHN-CYBMUJFWSA-N 2 1 226.364 1.346 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](CCC)OC ZINC000385973610 711021189 /nfs/dbraw/zinc/02/11/89/711021189.db2.gz HBHVWLXJLQDRHN-CYBMUJFWSA-N 2 1 226.364 1.346 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CC[NH3+] ZINC000723900576 711544276 /nfs/dbraw/zinc/54/42/76/711544276.db2.gz KFVPVCUJRLAXBY-IUODEOHRSA-N 2 1 243.354 1.975 20 30 BDEDMP C=CC[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000703665608 712083197 /nfs/dbraw/zinc/08/31/97/712083197.db2.gz QKCYMGGQFMSERQ-UWVGGRQHSA-N 2 1 218.291 1.867 20 30 BDEDMP C=CC[C@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000703665608 712083198 /nfs/dbraw/zinc/08/31/98/712083198.db2.gz QKCYMGGQFMSERQ-UWVGGRQHSA-N 2 1 218.291 1.867 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+](CCC)CCC[NH+](C)C ZINC001252604399 968862754 /nfs/dbraw/zinc/86/27/54/968862754.db2.gz RQNNZHWPXWLOMH-AWEZNQCLSA-N 2 1 242.407 1.977 20 30 BDEDMP C#C[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208609298 969145824 /nfs/dbraw/zinc/14/58/24/969145824.db2.gz IYXVJWDNVKMOPI-ZIAGYGMSSA-N 2 1 220.360 1.673 20 30 BDEDMP C#C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208609298 969145832 /nfs/dbraw/zinc/14/58/32/969145832.db2.gz IYXVJWDNVKMOPI-ZIAGYGMSSA-N 2 1 220.360 1.673 20 30 BDEDMP C#C[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208609298 969145835 /nfs/dbraw/zinc/14/58/35/969145835.db2.gz IYXVJWDNVKMOPI-ZIAGYGMSSA-N 2 1 220.360 1.673 20 30 BDEDMP N#CCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256069464 970635031 /nfs/dbraw/zinc/63/50/31/970635031.db2.gz DYUHKMCQWLPQST-UHFFFAOYSA-N 2 1 207.321 1.507 20 30 BDEDMP C#CCCC1(CC[NH2+]C2CC[NH+](C)CC2)N=N1 ZINC001256202332 970700229 /nfs/dbraw/zinc/70/02/29/970700229.db2.gz VBCVLIAMWYOOHA-UHFFFAOYSA-N 2 1 234.347 1.636 20 30 BDEDMP CC[N@@H+](C[C@@H](C)C#N)CC1CC[NH+](C)CC1 ZINC000691571149 977160360 /nfs/dbraw/zinc/16/03/60/977160360.db2.gz DSCQLRLSGCLMAE-LBPRGKRZSA-N 2 1 223.364 1.810 20 30 BDEDMP C[N@@H+]1CCCC2(CC[NH+](CCC#N)CC2)C1 ZINC001277936504 979023324 /nfs/dbraw/zinc/02/33/24/979023324.db2.gz JELXGWVCDQXULX-UHFFFAOYSA-N 2 1 221.348 1.708 20 30 BDEDMP C[N@H+]1CCCC2(CC[NH+](CCC#N)CC2)C1 ZINC001277936504 979023329 /nfs/dbraw/zinc/02/33/29/979023329.db2.gz JELXGWVCDQXULX-UHFFFAOYSA-N 2 1 221.348 1.708 20 30 BDEDMP C#C[C@@H](C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172246901 974515337 /nfs/dbraw/zinc/51/53/37/974515337.db2.gz ZQGNZTLHZGLKMG-GFCCVEGCSA-N 2 1 224.348 1.099 20 30 BDEDMP C#C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000300860862 958979677 /nfs/dbraw/zinc/97/96/77/958979677.db2.gz GLEQZXNUAJPNLT-WTUNAVPPSA-N 2 1 220.360 1.859 20 30 BDEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246529868 972416401 /nfs/dbraw/zinc/41/64/01/972416401.db2.gz MJQPEZYGAYFOBX-SWLSCSKDSA-N 2 1 243.354 1.912 20 30 BDEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246529868 972416406 /nfs/dbraw/zinc/41/64/06/972416406.db2.gz MJQPEZYGAYFOBX-SWLSCSKDSA-N 2 1 243.354 1.912 20 30 BDEDMP N#C[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000693912132 959531056 /nfs/dbraw/zinc/53/10/56/959531056.db2.gz MVJZQHGSKUZIAJ-GFCCVEGCSA-N 2 1 207.321 1.222 20 30 BDEDMP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1C[NH3+] ZINC000708840231 959862275 /nfs/dbraw/zinc/86/22/75/959862275.db2.gz HZLVGURNMAOGEQ-GXFFZTMASA-N 2 1 247.317 1.724 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1C[NH3+] ZINC000708840231 959862280 /nfs/dbraw/zinc/86/22/80/959862280.db2.gz HZLVGURNMAOGEQ-GXFFZTMASA-N 2 1 247.317 1.724 20 30 BDEDMP C[C@H](CC(C)(C)C#N)[NH2+]CCc1c[nH+]cn1C ZINC000695894585 960568333 /nfs/dbraw/zinc/56/83/33/960568333.db2.gz YZMCFNYZFOWGFQ-LLVKDONJSA-N 2 1 234.347 1.881 20 30 BDEDMP N#Cc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)nc1 ZINC001206633018 962147905 /nfs/dbraw/zinc/14/79/05/962147905.db2.gz REPXGMJBIZYWSJ-CYBMUJFWSA-N 2 1 244.342 1.514 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)nc1 ZINC001206633018 962147913 /nfs/dbraw/zinc/14/79/13/962147913.db2.gz REPXGMJBIZYWSJ-CYBMUJFWSA-N 2 1 244.342 1.514 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CO[C@H](CC)C1 ZINC000688458787 963322544 /nfs/dbraw/zinc/32/25/44/963322544.db2.gz UXTHNDTZQXDUDO-QWHCGFSZSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CO[C@H](CC)C1 ZINC000688458787 963322557 /nfs/dbraw/zinc/32/25/57/963322557.db2.gz UXTHNDTZQXDUDO-QWHCGFSZSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000689410685 963895901 /nfs/dbraw/zinc/89/59/01/963895901.db2.gz JKVZSPZPQHUHEO-CHWSQXEVSA-N 2 1 240.416 1.815 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000689410685 963895907 /nfs/dbraw/zinc/89/59/07/963895907.db2.gz JKVZSPZPQHUHEO-CHWSQXEVSA-N 2 1 240.416 1.815 20 30 BDEDMP C#C[C@](C)(CC)[NH2+]CCCn1cc[nH+]c1C ZINC000699673871 966029971 /nfs/dbraw/zinc/02/99/71/966029971.db2.gz TVEAJRNOUVWTSL-CYBMUJFWSA-N 2 1 219.332 1.973 20 30 BDEDMP C[C@]1([NH3+])CC[N@H+](CCCc2cccc(C#N)c2)C1 ZINC001204763214 967150508 /nfs/dbraw/zinc/15/05/08/967150508.db2.gz IECQZYFFPHBVPN-HNNXBMFYSA-N 2 1 243.354 1.914 20 30 BDEDMP C[C@]1([NH3+])CC[N@@H+](CCCc2cccc(C#N)c2)C1 ZINC001204763214 967150517 /nfs/dbraw/zinc/15/05/17/967150517.db2.gz IECQZYFFPHBVPN-HNNXBMFYSA-N 2 1 243.354 1.914 20 30 BDEDMP C[C@]1([NH3+])CCC[N@H+](Cc2cccc(C#N)n2)CC1 ZINC001205280653 967471641 /nfs/dbraw/zinc/47/16/41/967471641.db2.gz FIUACWGFFIGJSY-AWEZNQCLSA-N 2 1 244.342 1.657 20 30 BDEDMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(C#N)n2)CC1 ZINC001205280653 967471648 /nfs/dbraw/zinc/47/16/48/967471648.db2.gz FIUACWGFFIGJSY-AWEZNQCLSA-N 2 1 244.342 1.657 20 30 BDEDMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccnc(C#N)c2)CC1 ZINC001205287775 967479869 /nfs/dbraw/zinc/47/98/69/967479869.db2.gz BVPGWBQAGZOGAO-CQSZACIVSA-N 2 1 244.342 1.657 20 30 BDEDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccnc(C#N)c2)CC1 ZINC001205287775 967479878 /nfs/dbraw/zinc/47/98/78/967479878.db2.gz BVPGWBQAGZOGAO-CQSZACIVSA-N 2 1 244.342 1.657 20 30 BDEDMP C=CCNCC[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205984627 967932552 /nfs/dbraw/zinc/93/25/52/967932552.db2.gz SPSVSIIRVWETNP-STQMWFEESA-N 2 1 225.380 1.069 20 30 BDEDMP C=CCNCC[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205984627 967932570 /nfs/dbraw/zinc/93/25/70/967932570.db2.gz SPSVSIIRVWETNP-STQMWFEESA-N 2 1 225.380 1.069 20 30 BDEDMP C=CCC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001252615289 968872744 /nfs/dbraw/zinc/87/27/44/968872744.db2.gz YDVCNZCKYNOORY-OLZOCXBDSA-N 2 1 226.364 1.245 20 30 BDEDMP C=CCC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC001252616934 968876120 /nfs/dbraw/zinc/87/61/20/968876120.db2.gz WERYYSXHPCGGAL-CHWSQXEVSA-N 2 1 226.364 1.387 20 30 BDEDMP C=C[C@@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001253609564 969309493 /nfs/dbraw/zinc/30/94/93/969309493.db2.gz VOPPQGRASHDIJK-FVCCEPFGSA-N 2 1 224.348 1.138 20 30 BDEDMP N#CCC1CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209729746 969585608 /nfs/dbraw/zinc/58/56/08/969585608.db2.gz AQOFFWIKXDZISC-UHFFFAOYSA-N 2 1 230.315 1.620 20 30 BDEDMP C[N@@H+]([C@H]1CC[C@@H](C#N)C1)C1CCC([NH3+])CC1 ZINC001254641640 969756704 /nfs/dbraw/zinc/75/67/04/969756704.db2.gz CMAQMVOUIXWGTQ-XVSSEFHLSA-N 2 1 221.348 1.880 20 30 BDEDMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC001254656194 969765660 /nfs/dbraw/zinc/76/56/60/969765660.db2.gz IXIOYCVQNUJCDJ-WOPDTQHZSA-N 2 1 207.321 1.220 20 30 BDEDMP CC[C@@H](CC#N)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001255168806 969978699 /nfs/dbraw/zinc/97/86/99/969978699.db2.gz WZRBHTLSKPBPHC-AGIUHOORSA-N 2 1 221.348 1.562 20 30 BDEDMP CC[C@@H](CC#N)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001255168806 969978702 /nfs/dbraw/zinc/97/87/02/969978702.db2.gz WZRBHTLSKPBPHC-AGIUHOORSA-N 2 1 221.348 1.562 20 30 BDEDMP CC[C@@H](CC#N)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001255168806 969978711 /nfs/dbraw/zinc/97/87/11/969978711.db2.gz WZRBHTLSKPBPHC-AGIUHOORSA-N 2 1 221.348 1.562 20 30 BDEDMP CC[C@@H](CC#N)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001255168806 969978715 /nfs/dbraw/zinc/97/87/15/969978715.db2.gz WZRBHTLSKPBPHC-AGIUHOORSA-N 2 1 221.348 1.562 20 30 BDEDMP CC[C@@H](CC#N)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001255168806 969978717 /nfs/dbraw/zinc/97/87/17/969978717.db2.gz WZRBHTLSKPBPHC-AGIUHOORSA-N 2 1 221.348 1.562 20 30 BDEDMP C=CC[NH+]1CCN(C2CC[NH+](C3CC3)CC2)CC1 ZINC001256077079 970650839 /nfs/dbraw/zinc/65/08/39/970650839.db2.gz LCMAGEPGBBOOFW-UHFFFAOYSA-N 2 1 249.402 1.417 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)C1 ZINC001246863906 973188417 /nfs/dbraw/zinc/18/84/17/973188417.db2.gz SSUUKAWBIHWSSR-NOOOWODRSA-N 2 1 205.305 1.102 20 30 BDEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1(C[NH3+])CC1 ZINC001172306561 974518409 /nfs/dbraw/zinc/51/84/09/974518409.db2.gz ZTPVVVFFCKUARC-LLVKDONJSA-N 2 1 229.327 1.570 20 30 BDEDMP C=C[C@H](COC)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC001331518484 974745615 /nfs/dbraw/zinc/74/56/15/974745615.db2.gz IKZASEMHVUGGHH-VXGBXAGGSA-N 2 1 226.364 1.650 20 30 BDEDMP C=C[C@H](COC)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001331518484 974745625 /nfs/dbraw/zinc/74/56/25/974745625.db2.gz IKZASEMHVUGGHH-VXGBXAGGSA-N 2 1 226.364 1.650 20 30 BDEDMP C[C@@H](CCCC#N)[N@@H+](C)CCC[NH+](C)C ZINC001172493839 974841943 /nfs/dbraw/zinc/84/19/43/974841943.db2.gz OKCFIALHAFLEDT-LBPRGKRZSA-N 2 1 211.353 1.952 20 30 BDEDMP C=CCOC1CCC([NH2+]C2(C[NH3+])CC2)CC1 ZINC001173318163 975308293 /nfs/dbraw/zinc/30/82/93/975308293.db2.gz WJULOVHNLAZXTM-UHFFFAOYSA-N 2 1 224.348 1.581 20 30 BDEDMP C=CC[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001176642011 978145599 /nfs/dbraw/zinc/14/55/99/978145599.db2.gz WAOJATUTYLZUMB-XQQFMLRXSA-N 2 1 208.349 1.835 20 30 BDEDMP C=CC[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001176642011 978145606 /nfs/dbraw/zinc/14/56/06/978145606.db2.gz WAOJATUTYLZUMB-XQQFMLRXSA-N 2 1 208.349 1.835 20 30 BDEDMP C=CC[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001176642011 978145615 /nfs/dbraw/zinc/14/56/15/978145615.db2.gz WAOJATUTYLZUMB-XQQFMLRXSA-N 2 1 208.349 1.835 20 30 BDEDMP C=CC[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001176642011 978145619 /nfs/dbraw/zinc/14/56/19/978145619.db2.gz WAOJATUTYLZUMB-XQQFMLRXSA-N 2 1 208.349 1.835 20 30 BDEDMP C[C@H]([NH3+])C[N@H+](C)CCCc1cccc(C#N)c1 ZINC001236885353 979783866 /nfs/dbraw/zinc/78/38/66/979783866.db2.gz FDHYFUGTTMYWNB-LBPRGKRZSA-N 2 1 231.343 1.770 20 30 BDEDMP C[C@H]([NH3+])C[N@@H+](C)CCCc1cccc(C#N)c1 ZINC001236885353 979783871 /nfs/dbraw/zinc/78/38/71/979783871.db2.gz FDHYFUGTTMYWNB-LBPRGKRZSA-N 2 1 231.343 1.770 20 30 BDEDMP C=C[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001252585929 983835909 /nfs/dbraw/zinc/83/59/09/983835909.db2.gz VZJRXQQLAKFKGV-IHRRRGAJSA-N 2 1 240.391 1.632 20 30 BDEDMP C#CCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001275978213 984769781 /nfs/dbraw/zinc/76/97/81/984769781.db2.gz MNKHHBYIIXGZFH-GJZGRUSLSA-N 2 1 249.402 1.110 20 30 BDEDMP C=CCC[C@@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001258724912 986062632 /nfs/dbraw/zinc/06/26/32/986062632.db2.gz DHMQVLUOPRSMIY-GFCCVEGCSA-N 2 1 214.353 1.245 20 30 BDEDMP CC[N@@H+](CCC#N)CC1CC[NH+](C)CC1 ZINC000691573629 987285809 /nfs/dbraw/zinc/28/58/09/987285809.db2.gz VJHKKXLENVZEDN-UHFFFAOYSA-N 2 1 209.337 1.564 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246035184 987335977 /nfs/dbraw/zinc/33/59/77/987335977.db2.gz YQYBLXRNLJQANB-TUAOUCFPSA-N 2 1 230.327 1.075 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001246060175 987347925 /nfs/dbraw/zinc/34/79/25/987347925.db2.gz NFJNLAFYYOOPIE-MELADBBJSA-N 2 1 238.375 1.387 20 30 BDEDMP C[C@@H](CCCC#N)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246133388 987483047 /nfs/dbraw/zinc/48/30/47/987483047.db2.gz NPDFOQKFICKCFH-WDEREUQCSA-N 2 1 207.321 1.410 20 30 BDEDMP C=CC[N@@H+]1CCC[C@H]1CN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246358032 987769233 /nfs/dbraw/zinc/76/92/33/987769233.db2.gz BXZZWBCFNXTRNZ-RDBSUJKOSA-N 2 1 237.391 1.367 20 30 BDEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246542776 987914729 /nfs/dbraw/zinc/91/47/29/987914729.db2.gz KZKDPSDDDNBXQQ-OLZOCXBDSA-N 2 1 226.364 1.517 20 30 BDEDMP CC[C@H](CC#N)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246555446 987970097 /nfs/dbraw/zinc/97/00/97/987970097.db2.gz FEXHKZXBRXEYMK-YNEHKIRRSA-N 2 1 223.364 1.985 20 30 BDEDMP C[C@H](CCCC#N)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246562745 988004768 /nfs/dbraw/zinc/00/47/68/988004768.db2.gz ZLCKNWWNFPNEGR-MNOVXSKESA-N 2 1 245.317 1.985 20 30 BDEDMP CC(C)([NH3+])C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001118122418 988027422 /nfs/dbraw/zinc/02/74/22/988027422.db2.gz WBJRYAAUHWOQHH-UHFFFAOYSA-N 2 1 243.354 1.937 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)C1 ZINC001246588325 988158277 /nfs/dbraw/zinc/15/82/77/988158277.db2.gz PTIWJVROIGDJIL-WRWGMCAJSA-N 2 1 225.311 1.440 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)C1 ZINC001246588325 988158299 /nfs/dbraw/zinc/15/82/99/988158299.db2.gz PTIWJVROIGDJIL-WRWGMCAJSA-N 2 1 225.311 1.440 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)C1 ZINC001246590884 988166440 /nfs/dbraw/zinc/16/64/40/988166440.db2.gz IKDMRHXWECTMKK-FRRDWIJNSA-N 2 1 221.348 1.739 20 30 BDEDMP C#C[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246837924 988541617 /nfs/dbraw/zinc/54/16/17/988541617.db2.gz WZDDCYFFXDDOEU-UPJWGTAASA-N 2 1 206.333 1.472 20 30 BDEDMP C[C@H](CCCC#N)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246855151 988581120 /nfs/dbraw/zinc/58/11/20/988581120.db2.gz SXVROLCPRLUIPN-IJLUTSLNSA-N 2 1 207.321 1.492 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247016811 988844434 /nfs/dbraw/zinc/84/44/34/988844434.db2.gz XZNDQTKQVBKDJH-YIYPIFLZSA-N 2 1 233.359 1.753 20 30 BDEDMP C=CCC[C@@H](C)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001258718504 991645407 /nfs/dbraw/zinc/64/54/07/991645407.db2.gz NYXUMQSVIBFWQW-GHMZBOCLSA-N 2 1 228.336 1.211 20 30 BDEDMP C=C(C)CC[N@@H+]1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC001574834420 992924788 /nfs/dbraw/zinc/92/47/88/992924788.db2.gz BQGKUAYXYGSYFT-ZDUSSCGKSA-N 2 1 238.375 1.796 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1CC[NH2+]C ZINC001574901210 992940664 /nfs/dbraw/zinc/94/06/64/992940664.db2.gz BYABTVDVPUXVIQ-KBPBESRZSA-N 2 1 240.391 1.778 20 30 BDEDMP C=C(C)[C@@H](CO)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000649339463 398156898 /nfs/dbraw/zinc/15/68/98/398156898.db2.gz XGRNNGUWMAEIEN-CHWSQXEVSA-N 2 1 226.364 1.197 20 30 BDEDMP C=C(C)[C@@H](CO)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000649339463 398156902 /nfs/dbraw/zinc/15/69/02/398156902.db2.gz XGRNNGUWMAEIEN-CHWSQXEVSA-N 2 1 226.364 1.197 20 30 BDEDMP C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000649339463 398156905 /nfs/dbraw/zinc/15/69/05/398156905.db2.gz XGRNNGUWMAEIEN-CHWSQXEVSA-N 2 1 226.364 1.197 20 30 BDEDMP C=C(C)[C@@H](CO)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000649339463 398156909 /nfs/dbraw/zinc/15/69/09/398156909.db2.gz XGRNNGUWMAEIEN-CHWSQXEVSA-N 2 1 226.364 1.197 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423020026 398161111 /nfs/dbraw/zinc/16/11/11/398161111.db2.gz YKFUABDRTODMOB-MNOVXSKESA-N 2 1 235.331 1.329 20 30 BDEDMP C=C(C)[C@H](CO)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000649353852 398165752 /nfs/dbraw/zinc/16/57/52/398165752.db2.gz XHTDQAIWBGAJMJ-RDBSUJKOSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CCC[C@H](CC)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336731033 136217890 /nfs/dbraw/zinc/21/78/90/136217890.db2.gz IRNCNQACKSSGDL-QWHCGFSZSA-N 2 1 226.364 1.387 20 30 BDEDMP C=CCC[C@H](CC)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336731033 136217891 /nfs/dbraw/zinc/21/78/91/136217891.db2.gz IRNCNQACKSSGDL-QWHCGFSZSA-N 2 1 226.364 1.387 20 30 BDEDMP N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000335537866 398206439 /nfs/dbraw/zinc/20/64/39/398206439.db2.gz GHLGOMHVLOIRTQ-ZIAGYGMSSA-N 2 1 229.327 1.918 20 30 BDEDMP CC[N@H+](C)C[C@H]1CC[NH+](CCOCCC#N)C1 ZINC000339013183 136280045 /nfs/dbraw/zinc/28/00/45/136280045.db2.gz KEIVMCFVZXOHDN-CYBMUJFWSA-N 2 1 239.363 1.190 20 30 BDEDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOCCC#N)C1 ZINC000339013183 136280046 /nfs/dbraw/zinc/28/00/46/136280046.db2.gz KEIVMCFVZXOHDN-CYBMUJFWSA-N 2 1 239.363 1.190 20 30 BDEDMP CC[NH+](C)C[C@H]1CC[N@H+](CCOCCC#N)C1 ZINC000339013183 136280047 /nfs/dbraw/zinc/28/00/47/136280047.db2.gz KEIVMCFVZXOHDN-CYBMUJFWSA-N 2 1 239.363 1.190 20 30 BDEDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOCCC#N)C1 ZINC000339013183 136280048 /nfs/dbraw/zinc/28/00/48/136280048.db2.gz KEIVMCFVZXOHDN-CYBMUJFWSA-N 2 1 239.363 1.190 20 30 BDEDMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000071142223 343621578 /nfs/dbraw/zinc/62/15/78/343621578.db2.gz TTWNRMDLJQSSJA-CQSZACIVSA-N 2 1 229.327 1.600 20 30 BDEDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000071142223 343621580 /nfs/dbraw/zinc/62/15/80/343621580.db2.gz TTWNRMDLJQSSJA-CQSZACIVSA-N 2 1 229.327 1.600 20 30 BDEDMP C=C(C)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158947575 345391259 /nfs/dbraw/zinc/39/12/59/345391259.db2.gz SPZGYZBEIGVFSE-OLZOCXBDSA-N 2 1 208.349 1.979 20 30 BDEDMP C[N@H+]1CC[C@@]2(CCN(CCCC#N)C2)C1 ZINC000335571596 345400808 /nfs/dbraw/zinc/40/08/08/345400808.db2.gz NNBLBVMTHGBABY-GFCCVEGCSA-N 2 1 207.321 1.318 20 30 BDEDMP C[N@@H+]1CC[C@@]2(CC[NH+](CCCC#N)C2)C1 ZINC000335571596 345400809 /nfs/dbraw/zinc/40/08/09/345400809.db2.gz NNBLBVMTHGBABY-GFCCVEGCSA-N 2 1 207.321 1.318 20 30 BDEDMP C[N@H+]1CC[C@@]2(CC[NH+](CCCC#N)C2)C1 ZINC000335571596 345400810 /nfs/dbraw/zinc/40/08/10/345400810.db2.gz NNBLBVMTHGBABY-GFCCVEGCSA-N 2 1 207.321 1.318 20 30 BDEDMP C[NH+]1CC[C@@]2(CC[N@H+](CCCC#N)C2)C1 ZINC000335571596 345400811 /nfs/dbraw/zinc/40/08/11/345400811.db2.gz NNBLBVMTHGBABY-GFCCVEGCSA-N 2 1 207.321 1.318 20 30 BDEDMP C#CC[N@@H+](C)CCCN[C@@H](C)c1ccnn1C ZINC000294877120 346314418 /nfs/dbraw/zinc/31/44/18/346314418.db2.gz DDFZMUPNBFOKRG-LBPRGKRZSA-N 2 1 234.347 1.026 20 30 BDEDMP C#CC[N@H+](C)CCCN[C@@H](C)c1ccnn1C ZINC000294877120 346314419 /nfs/dbraw/zinc/31/44/19/346314419.db2.gz DDFZMUPNBFOKRG-LBPRGKRZSA-N 2 1 234.347 1.026 20 30 BDEDMP C[N@H+]1CC[C@]2(CC[NH+](CCC(C)(C)C#N)C2)C1 ZINC000310311611 347261450 /nfs/dbraw/zinc/26/14/50/347261450.db2.gz DXEWZTSTOKNKSV-AWEZNQCLSA-N 2 1 235.375 1.954 20 30 BDEDMP C[NH+]1CC[C@]2(CC[N@H+](CCC(C)(C)C#N)C2)C1 ZINC000310311611 347261454 /nfs/dbraw/zinc/26/14/54/347261454.db2.gz DXEWZTSTOKNKSV-AWEZNQCLSA-N 2 1 235.375 1.954 20 30 BDEDMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(C)(C)C#N)C2)C1 ZINC000310311611 347261457 /nfs/dbraw/zinc/26/14/57/347261457.db2.gz DXEWZTSTOKNKSV-AWEZNQCLSA-N 2 1 235.375 1.954 20 30 BDEDMP C=CCCSCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000596651928 348605937 /nfs/dbraw/zinc/60/59/37/348605937.db2.gz SCONMTRYTUINBB-RYUDHWBXSA-N 2 1 228.405 1.883 20 30 BDEDMP C=CCCCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000381012504 350374071 /nfs/dbraw/zinc/37/40/71/350374071.db2.gz SXRRJIFEKPPBSW-ZDUSSCGKSA-N 2 1 226.364 1.387 20 30 BDEDMP C=CCCCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000381012504 350374075 /nfs/dbraw/zinc/37/40/75/350374075.db2.gz SXRRJIFEKPPBSW-ZDUSSCGKSA-N 2 1 226.364 1.387 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000577468509 365960774 /nfs/dbraw/zinc/96/07/74/365960774.db2.gz HCYNTPYDFRAWBO-MJBXVCDLSA-N 2 1 238.375 1.794 20 30 BDEDMP Cn1cc(C[NH2+]CCC[NH+]2CCCC2)cc1C#N ZINC000189578350 180648861 /nfs/dbraw/zinc/64/88/61/180648861.db2.gz IUUGBESJGQMYAY-UHFFFAOYSA-N 2 1 246.358 1.472 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]CCC[C@H]2CCO2)CC1 ZINC000638524789 352358527 /nfs/dbraw/zinc/35/85/27/352358527.db2.gz SDEGEYOHTKXMHT-AWEZNQCLSA-N 2 1 238.375 1.796 20 30 BDEDMP CC[N@H+]1CC[C@@H](N(C)CC2(C#N)CC2)[C@H](C)C1 ZINC000343296474 353407159 /nfs/dbraw/zinc/40/71/59/353407159.db2.gz DGJXSAQJMGDJCD-CHWSQXEVSA-N 2 1 235.375 1.952 20 30 BDEDMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000335840751 355585036 /nfs/dbraw/zinc/58/50/36/355585036.db2.gz YDHGMCJSDAQFOM-ZIAGYGMSSA-N 2 1 233.359 1.920 20 30 BDEDMP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)CCC#N)C1 ZINC000351410854 355986964 /nfs/dbraw/zinc/98/69/64/355986964.db2.gz KCXUPQXHUHSKLA-QWHCGFSZSA-N 2 1 223.364 1.952 20 30 BDEDMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)CCC#N)C1 ZINC000351410854 355986965 /nfs/dbraw/zinc/98/69/65/355986965.db2.gz KCXUPQXHUHSKLA-QWHCGFSZSA-N 2 1 223.364 1.952 20 30 BDEDMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000351410854 355986968 /nfs/dbraw/zinc/98/69/68/355986968.db2.gz KCXUPQXHUHSKLA-QWHCGFSZSA-N 2 1 223.364 1.952 20 30 BDEDMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)CCC#N)C1 ZINC000351410854 355986969 /nfs/dbraw/zinc/98/69/69/355986969.db2.gz KCXUPQXHUHSKLA-QWHCGFSZSA-N 2 1 223.364 1.952 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000639664904 356579779 /nfs/dbraw/zinc/57/97/79/356579779.db2.gz SFKXEMMRIHSZTK-OLZOCXBDSA-N 2 1 235.331 1.286 20 30 BDEDMP C=C(C)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115549845 134215871 /nfs/dbraw/zinc/21/58/71/134215871.db2.gz KKRJTBXTSHGIRF-UHFFFAOYSA-N 2 1 226.364 1.341 20 30 BDEDMP C=C(C)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115549845 134215872 /nfs/dbraw/zinc/21/58/72/134215872.db2.gz KKRJTBXTSHGIRF-UHFFFAOYSA-N 2 1 226.364 1.341 20 30 BDEDMP C#CCSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193006088 357864193 /nfs/dbraw/zinc/86/41/93/357864193.db2.gz OHZYHKWKSIRHKE-YHWZYXNKSA-N 2 1 238.400 1.568 20 30 BDEDMP CCN(CC[C@H]1CCC[N@H+]1C)C[C@@H](C)C#N ZINC000124993647 358530808 /nfs/dbraw/zinc/53/08/08/358530808.db2.gz WTGYNSXQVFQSNN-QWHCGFSZSA-N 2 1 223.364 1.952 20 30 BDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246990942 359181684 /nfs/dbraw/zinc/18/16/84/359181684.db2.gz WKZCYZHVMFIRCF-DZGCQCFKSA-N 2 1 232.371 1.958 20 30 BDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246990942 359181688 /nfs/dbraw/zinc/18/16/88/359181688.db2.gz WKZCYZHVMFIRCF-DZGCQCFKSA-N 2 1 232.371 1.958 20 30 BDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246990942 359181692 /nfs/dbraw/zinc/18/16/92/359181692.db2.gz WKZCYZHVMFIRCF-DZGCQCFKSA-N 2 1 232.371 1.958 20 30 BDEDMP C#CC[N@@H+](C)CCCNc1cccc(C)[nH+]1 ZINC000292911274 359324973 /nfs/dbraw/zinc/32/49/73/359324973.db2.gz XLGFIKQCDHIYQX-UHFFFAOYSA-N 2 1 217.316 1.757 20 30 BDEDMP C=C(C)COCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000090450876 360073424 /nfs/dbraw/zinc/07/34/24/360073424.db2.gz BMHMDDMHWKQFIA-OLZOCXBDSA-N 2 1 226.364 1.509 20 30 BDEDMP C=CC[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000629552019 361444529 /nfs/dbraw/zinc/44/45/29/361444529.db2.gz YWBZPPCOTHAPOD-OLZOCXBDSA-N 2 1 208.349 1.884 20 30 BDEDMP C=CC(C)(C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000385229219 367811654 /nfs/dbraw/zinc/81/16/54/367811654.db2.gz SVUDIJPJXNIJTA-LBPRGKRZSA-N 2 1 226.364 1.243 20 30 BDEDMP C=CC(C)(C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000385229219 367811660 /nfs/dbraw/zinc/81/16/60/367811660.db2.gz SVUDIJPJXNIJTA-LBPRGKRZSA-N 2 1 226.364 1.243 20 30 BDEDMP CC(C)(CCC#N)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390102945 371187546 /nfs/dbraw/zinc/18/75/46/371187546.db2.gz AVJSSCJVXHXQEU-TXEJJXNPSA-N 2 1 221.348 1.468 20 30 BDEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCC#N ZINC000167257386 206144856 /nfs/dbraw/zinc/14/48/56/206144856.db2.gz MAOZOVUBERVUEW-FRRDWIJNSA-N 2 1 223.364 1.999 20 30 BDEDMP C#CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363415830 134398782 /nfs/dbraw/zinc/39/87/82/134398782.db2.gz YNQYSWYVCNMESY-JHJVBQTASA-N 2 1 204.317 1.036 20 30 BDEDMP C#CCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000360341059 533047674 /nfs/dbraw/zinc/04/76/74/533047674.db2.gz CGQLVTPMWKZOPD-UHFFFAOYSA-N 2 1 206.333 1.570 20 30 BDEDMP C#CCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000360341059 533047679 /nfs/dbraw/zinc/04/76/79/533047679.db2.gz CGQLVTPMWKZOPD-UHFFFAOYSA-N 2 1 206.333 1.570 20 30 BDEDMP Cn1cc(C[NH2+]C2CC[NH+](C)CC2)cc1C#N ZINC000189580907 385200631 /nfs/dbraw/zinc/20/06/31/385200631.db2.gz XKVBUPIYHHQTDD-UHFFFAOYSA-N 2 1 232.331 1.081 20 30 BDEDMP C=CCCOCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181767577 385415904 /nfs/dbraw/zinc/41/59/04/385415904.db2.gz GLUDVESBFDFCAT-OLZOCXBDSA-N 2 1 226.364 1.651 20 30 BDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccccn1 ZINC000170905842 385455210 /nfs/dbraw/zinc/45/52/10/385455210.db2.gz RUVKTORYGPKUGV-LLVKDONJSA-N 2 1 247.346 1.293 20 30 BDEDMP N#CCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000336172916 385493372 /nfs/dbraw/zinc/49/33/72/385493372.db2.gz ARDCBUWDCMJPHT-TZMCWYRMSA-N 2 1 233.359 1.849 20 30 BDEDMP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)C[NH+](C)C ZINC000291737156 385938821 /nfs/dbraw/zinc/93/88/21/385938821.db2.gz OKJXFOYAVAJNNT-LBPRGKRZSA-N 2 1 231.343 1.846 20 30 BDEDMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)CC[N@H+]1C ZINC000414175997 386019671 /nfs/dbraw/zinc/01/96/71/386019671.db2.gz ZYDBSMFRAJMQTL-RYUDHWBXSA-N 2 1 223.364 1.999 20 30 BDEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1 ZINC000423569980 387379369 /nfs/dbraw/zinc/37/93/69/387379369.db2.gz WNCRLJTYFMIFIX-FRRDWIJNSA-N 2 1 221.348 1.800 20 30 BDEDMP C=CCCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423517843 387349707 /nfs/dbraw/zinc/34/97/07/387349707.db2.gz OHURVYBHTUJNMA-KBPBESRZSA-N 2 1 239.407 1.615 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](COC)C(C)C ZINC000327960047 387599150 /nfs/dbraw/zinc/59/91/50/387599150.db2.gz CGKOYYYTIOFHDQ-CYBMUJFWSA-N 2 1 226.364 1.202 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](COC)C(C)C ZINC000327960047 387599153 /nfs/dbraw/zinc/59/91/53/387599153.db2.gz CGKOYYYTIOFHDQ-CYBMUJFWSA-N 2 1 226.364 1.202 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000328066537 387846727 /nfs/dbraw/zinc/84/67/27/387846727.db2.gz CSYPULXPGTWCDA-BTTYYORXSA-N 2 1 238.375 1.487 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000328066537 387846730 /nfs/dbraw/zinc/84/67/30/387846730.db2.gz CSYPULXPGTWCDA-BTTYYORXSA-N 2 1 238.375 1.487 20 30 BDEDMP C=C(C)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423153646 387931671 /nfs/dbraw/zinc/93/16/71/387931671.db2.gz NSSXQUQJWKZVOS-MCIONIFRSA-N 2 1 238.375 1.699 20 30 BDEDMP C=C(C)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423153647 387932622 /nfs/dbraw/zinc/93/26/22/387932622.db2.gz NSSXQUQJWKZVOS-MGPQQGTHSA-N 2 1 238.375 1.699 20 30 BDEDMP C[C@@H]([NH2+]CCC[NH3+])c1ccc(C#N)cc1F ZINC000423187061 387971868 /nfs/dbraw/zinc/97/18/68/387971868.db2.gz KUKYFUIXQGXNGI-SECBINFHSA-N 2 1 221.279 1.697 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000453350593 388055924 /nfs/dbraw/zinc/05/59/24/388055924.db2.gz LOMPVHLPAHDFOM-FQUUOJAGSA-N 2 1 238.375 1.792 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000453350593 388055926 /nfs/dbraw/zinc/05/59/26/388055926.db2.gz LOMPVHLPAHDFOM-FQUUOJAGSA-N 2 1 238.375 1.792 20 30 BDEDMP C#CCN(C[C@@H](O)C[N@H+](C)CC)C1CCCC1 ZINC000491724218 388314942 /nfs/dbraw/zinc/31/49/42/388314942.db2.gz FIDRNFVQTHGTJD-AWEZNQCLSA-N 2 1 238.375 1.177 20 30 BDEDMP C#CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1CCCC1 ZINC000491724218 388314945 /nfs/dbraw/zinc/31/49/45/388314945.db2.gz FIDRNFVQTHGTJD-AWEZNQCLSA-N 2 1 238.375 1.177 20 30 BDEDMP C#CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1CCCC1 ZINC000491724218 388314946 /nfs/dbraw/zinc/31/49/46/388314946.db2.gz FIDRNFVQTHGTJD-AWEZNQCLSA-N 2 1 238.375 1.177 20 30 BDEDMP C#CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1CCCC1 ZINC000491724218 388314947 /nfs/dbraw/zinc/31/49/47/388314947.db2.gz FIDRNFVQTHGTJD-AWEZNQCLSA-N 2 1 238.375 1.177 20 30 BDEDMP C#CC[N@H+](C[C@@H](O)C[NH+](C)CC)C1CCCC1 ZINC000491724218 388314948 /nfs/dbraw/zinc/31/49/48/388314948.db2.gz FIDRNFVQTHGTJD-AWEZNQCLSA-N 2 1 238.375 1.177 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccoc1 ZINC000491821471 388324154 /nfs/dbraw/zinc/32/41/54/388324154.db2.gz VVBOQOSFTXNMFI-CYBMUJFWSA-N 2 1 234.343 1.755 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)Cc1ccoc1 ZINC000491821471 388324155 /nfs/dbraw/zinc/32/41/55/388324155.db2.gz VVBOQOSFTXNMFI-CYBMUJFWSA-N 2 1 234.343 1.755 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000278658177 133553483 /nfs/dbraw/zinc/55/34/83/133553483.db2.gz IOELMOJBRCXSBI-CHWSQXEVSA-N 2 1 232.331 1.864 20 30 BDEDMP C#CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363415830 134398776 /nfs/dbraw/zinc/39/87/76/134398776.db2.gz YNQYSWYVCNMESY-JHJVBQTASA-N 2 1 204.317 1.036 20 30 BDEDMP C#CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363415830 134398778 /nfs/dbraw/zinc/39/87/78/134398778.db2.gz YNQYSWYVCNMESY-JHJVBQTASA-N 2 1 204.317 1.036 20 30 BDEDMP C#CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363415830 134398780 /nfs/dbraw/zinc/39/87/80/134398780.db2.gz YNQYSWYVCNMESY-JHJVBQTASA-N 2 1 204.317 1.036 20 30 BDEDMP CC#CCC[NH2+]C1CC[NH+](CCOC)CC1 ZINC000309961052 134599800 /nfs/dbraw/zinc/59/98/00/134599800.db2.gz LFBMHCUQYPWATN-UHFFFAOYSA-N 2 1 224.348 1.100 20 30 BDEDMP C=CCOCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000339005458 135050895 /nfs/dbraw/zinc/05/08/95/135050895.db2.gz OVTFVJYZKJCHAA-ZDUSSCGKSA-N 2 1 226.364 1.463 20 30 BDEDMP C=CCOCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000339005458 135050897 /nfs/dbraw/zinc/05/08/97/135050897.db2.gz OVTFVJYZKJCHAA-ZDUSSCGKSA-N 2 1 226.364 1.463 20 30 BDEDMP C=CCOCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000339005458 135050900 /nfs/dbraw/zinc/05/09/00/135050900.db2.gz OVTFVJYZKJCHAA-ZDUSSCGKSA-N 2 1 226.364 1.463 20 30 BDEDMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339005587 135051031 /nfs/dbraw/zinc/05/10/31/135051031.db2.gz VDIGRHDFYFEGLH-HZSPNIEDSA-N 2 1 235.375 1.952 20 30 BDEDMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339005587 135051032 /nfs/dbraw/zinc/05/10/32/135051032.db2.gz VDIGRHDFYFEGLH-HZSPNIEDSA-N 2 1 235.375 1.952 20 30 BDEDMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339005587 135051034 /nfs/dbraw/zinc/05/10/34/135051034.db2.gz VDIGRHDFYFEGLH-HZSPNIEDSA-N 2 1 235.375 1.952 20 30 BDEDMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339005587 135051036 /nfs/dbraw/zinc/05/10/36/135051036.db2.gz VDIGRHDFYFEGLH-HZSPNIEDSA-N 2 1 235.375 1.952 20 30 BDEDMP C=CCOCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000339005457 135051043 /nfs/dbraw/zinc/05/10/43/135051043.db2.gz OVTFVJYZKJCHAA-CYBMUJFWSA-N 2 1 226.364 1.463 20 30 BDEDMP C=CCOCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000339005457 135051044 /nfs/dbraw/zinc/05/10/44/135051044.db2.gz OVTFVJYZKJCHAA-CYBMUJFWSA-N 2 1 226.364 1.463 20 30 BDEDMP C=CCOCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000339005457 135051045 /nfs/dbraw/zinc/05/10/45/135051045.db2.gz OVTFVJYZKJCHAA-CYBMUJFWSA-N 2 1 226.364 1.463 20 30 BDEDMP C=CCOCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000339124919 135059883 /nfs/dbraw/zinc/05/98/83/135059883.db2.gz MIXNSKIYHQOFLK-CYBMUJFWSA-N 2 1 226.364 1.605 20 30 BDEDMP CCc1cccc(NC(=[NH2+])NC[C@@H](C)[NH+](C)C)c1 ZINC000264080850 135131862 /nfs/dbraw/zinc/13/18/62/135131862.db2.gz HDZFRELONFHPRS-LLVKDONJSA-N 2 1 248.374 1.926 20 30 BDEDMP CCc1cccc(NC(=[NH2+])NC[C@H](C)[NH+](C)C)c1 ZINC000264080852 135132045 /nfs/dbraw/zinc/13/20/45/135132045.db2.gz HDZFRELONFHPRS-NSHDSACASA-N 2 1 248.374 1.926 20 30 BDEDMP C[C@@H](CNC1=[NH+]C[C@@H](C)N1)[N@H+]1CCCC[C@@H]1C ZINC000262625775 135309144 /nfs/dbraw/zinc/30/91/44/135309144.db2.gz DJXXRDHKSLSYAU-WOPDTQHZSA-N 2 1 238.379 1.187 20 30 BDEDMP C=CCOCCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000348051702 136030963 /nfs/dbraw/zinc/03/09/63/136030963.db2.gz MFGGMRIOEOMLKE-UHFFFAOYSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CCOCCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000348051702 136030964 /nfs/dbraw/zinc/03/09/64/136030964.db2.gz MFGGMRIOEOMLKE-UHFFFAOYSA-N 2 1 240.391 1.995 20 30 BDEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC[NH3+] ZINC000335566747 136107876 /nfs/dbraw/zinc/10/78/76/136107876.db2.gz VHEXYQSNHFPCMQ-CQSZACIVSA-N 2 1 229.327 1.874 20 30 BDEDMP C=CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339664087 166320429 /nfs/dbraw/zinc/32/04/29/166320429.db2.gz XSCYVELBCJDBLS-PBWFPOADSA-N 2 1 238.375 1.746 20 30 BDEDMP C=CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339664087 166320431 /nfs/dbraw/zinc/32/04/31/166320431.db2.gz XSCYVELBCJDBLS-PBWFPOADSA-N 2 1 238.375 1.746 20 30 BDEDMP C=CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339664087 166320433 /nfs/dbraw/zinc/32/04/33/166320433.db2.gz XSCYVELBCJDBLS-PBWFPOADSA-N 2 1 238.375 1.746 20 30 BDEDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000309940024 170016351 /nfs/dbraw/zinc/01/63/51/170016351.db2.gz BJSYWJPDITXCPZ-YNEHKIRRSA-N 2 1 221.348 1.610 20 30 BDEDMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000309940016 170016997 /nfs/dbraw/zinc/01/69/97/170016997.db2.gz BJSYWJPDITXCPZ-UPJWGTAASA-N 2 1 221.348 1.610 20 30 BDEDMP C=CCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000657582901 411554751 /nfs/dbraw/zinc/55/47/51/411554751.db2.gz MIJOFOLXXSXTIO-UHFFFAOYSA-N 2 1 205.305 1.813 20 30 BDEDMP C=C(C)C[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660221808 411556217 /nfs/dbraw/zinc/55/62/17/411556217.db2.gz RUPPTYRZZNMUDF-LBPRGKRZSA-N 2 1 214.353 1.195 20 30 BDEDMP C=C(C)C[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000660221808 411556218 /nfs/dbraw/zinc/55/62/18/411556218.db2.gz RUPPTYRZZNMUDF-LBPRGKRZSA-N 2 1 214.353 1.195 20 30 BDEDMP C=C(C)C[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000660221808 411556219 /nfs/dbraw/zinc/55/62/19/411556219.db2.gz RUPPTYRZZNMUDF-LBPRGKRZSA-N 2 1 214.353 1.195 20 30 BDEDMP C=C(C)C[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000660221808 411556220 /nfs/dbraw/zinc/55/62/20/411556220.db2.gz RUPPTYRZZNMUDF-LBPRGKRZSA-N 2 1 214.353 1.195 20 30 BDEDMP C=CCC[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000660402506 411579902 /nfs/dbraw/zinc/57/99/02/411579902.db2.gz UZFJWCXMOVVWJO-LBPRGKRZSA-N 2 1 214.353 1.195 20 30 BDEDMP C=CCC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000660402506 411579904 /nfs/dbraw/zinc/57/99/04/411579904.db2.gz UZFJWCXMOVVWJO-LBPRGKRZSA-N 2 1 214.353 1.195 20 30 BDEDMP C=CCC[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000660402506 411579905 /nfs/dbraw/zinc/57/99/05/411579905.db2.gz UZFJWCXMOVVWJO-LBPRGKRZSA-N 2 1 214.353 1.195 20 30 BDEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000657875956 411615011 /nfs/dbraw/zinc/61/50/11/411615011.db2.gz QZNJKDMOAQVGKK-MCIONIFRSA-N 2 1 240.391 1.633 20 30 BDEDMP C=CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C(C)(C)C ZINC000661759989 411870600 /nfs/dbraw/zinc/87/06/00/411870600.db2.gz NSNFYEKEEJTUPJ-CYBMUJFWSA-N 2 1 242.407 1.974 20 30 BDEDMP C=CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C(C)(C)C ZINC000661759989 411870603 /nfs/dbraw/zinc/87/06/03/411870603.db2.gz NSNFYEKEEJTUPJ-CYBMUJFWSA-N 2 1 242.407 1.974 20 30 BDEDMP C=CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C(C)(C)C ZINC000661759989 411870607 /nfs/dbraw/zinc/87/06/07/411870607.db2.gz NSNFYEKEEJTUPJ-CYBMUJFWSA-N 2 1 242.407 1.974 20 30 BDEDMP C=C(CC)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153713 412007904 /nfs/dbraw/zinc/00/79/04/412007904.db2.gz SZHCKJREKQXJAA-CQSZACIVSA-N 2 1 238.375 1.484 20 30 BDEDMP C=C(CC)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662153713 412007908 /nfs/dbraw/zinc/00/79/08/412007908.db2.gz SZHCKJREKQXJAA-CQSZACIVSA-N 2 1 238.375 1.484 20 30 BDEDMP C=CCOCCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000665263412 412205390 /nfs/dbraw/zinc/20/53/90/412205390.db2.gz LWBYODRSVHSIMI-LLVKDONJSA-N 2 1 235.331 1.737 20 30 BDEDMP CC[C@H]([NH3+])C[NH2+]Cc1cccc(C#N)c1 ZINC000566300906 326030668 /nfs/dbraw/zinc/03/06/68/326030668.db2.gz RKCDFJDYVONWBR-LBPRGKRZSA-N 2 1 203.289 1.385 20 30 BDEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678220246 488220208 /nfs/dbraw/zinc/22/02/08/488220208.db2.gz UDIQLUVGXURQSP-KBPBESRZSA-N 2 1 238.375 1.341 20 30 BDEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678220246 488220205 /nfs/dbraw/zinc/22/02/05/488220205.db2.gz UDIQLUVGXURQSP-KBPBESRZSA-N 2 1 238.375 1.341 20 30 BDEDMP C=CCNC(=[NH2+])NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000261689503 534844725 /nfs/dbraw/zinc/84/47/25/534844725.db2.gz BAHGCPWFOPVRFQ-NWDGAFQWSA-N 2 1 238.379 1.197 20 30 BDEDMP C=CCSCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400658494 527004307 /nfs/dbraw/zinc/00/43/07/527004307.db2.gz RIGKQAGNRLGYNA-MNOVXSKESA-N 2 1 214.378 1.636 20 30 BDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CC[C@H]1C ZINC000262632634 535549674 /nfs/dbraw/zinc/54/96/74/535549674.db2.gz GAPZMJGOIJXACE-UTUOFQBUSA-N 2 1 238.379 1.174 20 30 BDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC1CCCC1 ZINC000203027664 583962229 /nfs/dbraw/zinc/96/22/29/583962229.db2.gz ZOGFOPJYMOSLNC-LBPRGKRZSA-N 2 1 238.379 1.318 20 30 BDEDMP N#CC1CCC(C[N@@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC000903421323 584763829 /nfs/dbraw/zinc/76/38/29/584763829.db2.gz LRFBWDGRRWOJKC-BPCQOVAHSA-N 2 1 221.348 1.739 20 30 BDEDMP N#CC1CCC(C[N@@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC000903421327 584763859 /nfs/dbraw/zinc/76/38/59/584763859.db2.gz LRFBWDGRRWOJKC-WXRRBKDZSA-N 2 1 221.348 1.739 20 30 BDEDMP C[NH2+][C@H]1CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000903420571 584763915 /nfs/dbraw/zinc/76/39/15/584763915.db2.gz CKKUUDREUILKEY-BPCQOVAHSA-N 2 1 221.348 1.610 20 30 BDEDMP C[NH2+][C@H]1CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903420571 584763916 /nfs/dbraw/zinc/76/39/16/584763916.db2.gz CKKUUDREUILKEY-BPCQOVAHSA-N 2 1 221.348 1.610 20 30 BDEDMP C[N@@H+](CCC[NH3+])CC1CCC(C#N)CC1 ZINC000903424902 584765329 /nfs/dbraw/zinc/76/53/29/584765329.db2.gz KVIQHTLJDPSWGD-UHFFFAOYSA-N 2 1 209.337 1.597 20 30 BDEDMP C#CCC[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000760845280 585399856 /nfs/dbraw/zinc/39/98/56/585399856.db2.gz ZWGKQDATRFKRQH-UHFFFAOYSA-N 2 1 208.349 1.816 20 30 BDEDMP C#C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)[C@@H]1CCCO1 ZINC000775792701 585685317 /nfs/dbraw/zinc/68/53/17/585685317.db2.gz IIXIZILYPPCWDK-RDBSUJKOSA-N 2 1 236.359 1.241 20 30 BDEDMP C#C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCCO1 ZINC000775792701 585685318 /nfs/dbraw/zinc/68/53/18/585685318.db2.gz IIXIZILYPPCWDK-RDBSUJKOSA-N 2 1 236.359 1.241 20 30 BDEDMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817977904 586861151 /nfs/dbraw/zinc/86/11/51/586861151.db2.gz RHSKCAZTQXRFJG-UTUOFQBUSA-N 2 1 247.342 1.975 20 30 BDEDMP C#CC[C@@H]1CCC[N@H+](CCc2cncn2C)C1 ZINC000829814816 587519265 /nfs/dbraw/zinc/51/92/65/587519265.db2.gz ACTTWTYGKQSOTE-CYBMUJFWSA-N 2 1 231.343 1.698 20 30 BDEDMP N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)nc1 ZINC000848720614 588408472 /nfs/dbraw/zinc/40/84/72/588408472.db2.gz PZXLYMAGVZXCEF-RYUDHWBXSA-N 2 1 230.315 1.313 20 30 BDEDMP C=CCNC(=[NH2+])NCCC[N@@H+]1CCCC[C@@H]1C ZINC000848982305 588424208 /nfs/dbraw/zinc/42/42/08/588424208.db2.gz CEJVODKEKGBNII-LBPRGKRZSA-N 2 1 238.379 1.551 20 30 BDEDMP C[NH+]=C(NCC[N@H+]1CCC[C@H](C)C1)NC1CC1 ZINC000848987733 588426217 /nfs/dbraw/zinc/42/62/17/588426217.db2.gz WDVODMMUGUBKFT-NSHDSACASA-N 2 1 238.379 1.046 20 30 BDEDMP CCNC(NCC[C@H]1CCC[N@@H+](C)C1)=[NH+]CC ZINC000849040914 588448033 /nfs/dbraw/zinc/44/80/33/588448033.db2.gz GDDUVRAFWXWJBO-GFCCVEGCSA-N 2 1 240.395 1.293 20 30 BDEDMP C=CCNC(=[NH2+])NCC[C@@H]1CCC[N@H+](C)C1 ZINC000849041680 588448351 /nfs/dbraw/zinc/44/83/51/588448351.db2.gz VHPIQJDFPUZPIA-NSHDSACASA-N 2 1 224.352 1.018 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C1(OC)CCC1 ZINC000850470590 588548994 /nfs/dbraw/zinc/54/89/94/588548994.db2.gz FFFAEYIVFOEVPT-ZDUSSCGKSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C1(OC)CCC1 ZINC000850470590 588548996 /nfs/dbraw/zinc/54/89/96/588548996.db2.gz FFFAEYIVFOEVPT-ZDUSSCGKSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[C@H](CCOC)[NH2+]C1CC[NH+](C)CC1 ZINC000862547372 589220218 /nfs/dbraw/zinc/22/02/18/589220218.db2.gz CXYDRVMZHGMLFR-GFCCVEGCSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517787 591083033 /nfs/dbraw/zinc/08/30/33/591083033.db2.gz WZWWSQWAUKHGIM-UHFFFAOYSA-N 2 1 208.349 1.818 20 30 BDEDMP C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000883390203 591641145 /nfs/dbraw/zinc/64/11/45/591641145.db2.gz HYSVQTNBKJHIQW-YNEHKIRRSA-N 2 1 226.364 1.386 20 30 BDEDMP C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000883390203 591641147 /nfs/dbraw/zinc/64/11/47/591641147.db2.gz HYSVQTNBKJHIQW-YNEHKIRRSA-N 2 1 226.364 1.386 20 30 BDEDMP C#CC[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000886365296 592216931 /nfs/dbraw/zinc/21/69/31/592216931.db2.gz FMPKPWMWTVYCGU-ZIAGYGMSSA-N 2 1 238.375 1.033 20 30 BDEDMP C#CC[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000886365296 592216933 /nfs/dbraw/zinc/21/69/33/592216933.db2.gz FMPKPWMWTVYCGU-ZIAGYGMSSA-N 2 1 238.375 1.033 20 30 BDEDMP C#CC[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000886365296 592216936 /nfs/dbraw/zinc/21/69/36/592216936.db2.gz FMPKPWMWTVYCGU-ZIAGYGMSSA-N 2 1 238.375 1.033 20 30 BDEDMP C[NH+]1CCC(C[N@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000893527947 634563325 /nfs/dbraw/zinc/56/33/25/634563325.db2.gz SSLSHQJAHKOMKJ-AWEZNQCLSA-N 2 1 235.375 1.954 20 30 BDEDMP Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1C#N ZINC000925841445 635505931 /nfs/dbraw/zinc/50/59/31/635505931.db2.gz REASMAQFPNIZBE-KBPBESRZSA-N 2 1 229.327 1.836 20 30 BDEDMP C#C[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000934514515 631895706 /nfs/dbraw/zinc/89/57/06/631895706.db2.gz IMTKSNLMGZBGDE-UONOGXRCSA-N 2 1 220.360 1.958 20 30 BDEDMP C#C[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000934514515 631895709 /nfs/dbraw/zinc/89/57/09/631895709.db2.gz IMTKSNLMGZBGDE-UONOGXRCSA-N 2 1 220.360 1.958 20 30 BDEDMP C#C[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000934514515 631895713 /nfs/dbraw/zinc/89/57/13/631895713.db2.gz IMTKSNLMGZBGDE-UONOGXRCSA-N 2 1 220.360 1.958 20 30 BDEDMP C#C[C@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000934514515 631895717 /nfs/dbraw/zinc/89/57/17/631895717.db2.gz IMTKSNLMGZBGDE-UONOGXRCSA-N 2 1 220.360 1.958 20 30 BDEDMP C#C[C@@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000934516625 631896871 /nfs/dbraw/zinc/89/68/71/631896871.db2.gz NBYLKBGDEBSAQA-GFCCVEGCSA-N 2 1 217.316 1.450 20 30 BDEDMP C#C[C@@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000934516625 631896875 /nfs/dbraw/zinc/89/68/75/631896875.db2.gz NBYLKBGDEBSAQA-GFCCVEGCSA-N 2 1 217.316 1.450 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000328060558 633228357 /nfs/dbraw/zinc/22/83/57/633228357.db2.gz BGIRHOREPIBDRF-ZIAGYGMSSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000328060558 633228360 /nfs/dbraw/zinc/22/83/60/633228360.db2.gz BGIRHOREPIBDRF-ZIAGYGMSSA-N 2 1 238.375 1.489 20 30 BDEDMP CC(C)CCNC(=[NH2+])NCC[N@@H+](C)C(C)C ZINC000303971322 635934174 /nfs/dbraw/zinc/93/41/74/635934174.db2.gz DJBJKBBHRMZXAX-UHFFFAOYSA-N 2 1 228.384 1.277 20 30 BDEDMP CC[N@@H+]1CC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000051814163 636025910 /nfs/dbraw/zinc/02/59/10/636025910.db2.gz NUWAZIRJOYBWFA-MRXNPFEDSA-N 2 1 242.366 1.970 20 30 BDEDMP CC[N@H+]1CC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000051814163 636025911 /nfs/dbraw/zinc/02/59/11/636025911.db2.gz NUWAZIRJOYBWFA-MRXNPFEDSA-N 2 1 242.366 1.970 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000328210650 633743562 /nfs/dbraw/zinc/74/35/62/633743562.db2.gz WKOIWBCODONGRS-NEPJUHHUSA-N 2 1 226.389 1.425 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000328210650 633743566 /nfs/dbraw/zinc/74/35/66/633743566.db2.gz WKOIWBCODONGRS-NEPJUHHUSA-N 2 1 226.389 1.425 20 30 BDEDMP C=CCSCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328458157 633764839 /nfs/dbraw/zinc/76/48/39/633764839.db2.gz SLOSKZAXZCQCRO-NWBUJAPZSA-N 2 1 238.400 1.492 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C#C)cc1 ZINC000883131241 636175448 /nfs/dbraw/zinc/17/54/48/636175448.db2.gz QROQEWZRTXWZKI-UHFFFAOYSA-N 2 1 240.350 1.713 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C#C)cc1 ZINC000883131241 636175457 /nfs/dbraw/zinc/17/54/57/636175457.db2.gz QROQEWZRTXWZKI-UHFFFAOYSA-N 2 1 240.350 1.713 20 30 BDEDMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC000931438840 640201629 /nfs/dbraw/zinc/20/16/29/640201629.db2.gz QFUJXSVRHQJVJV-CRWXNKLISA-N 2 1 233.359 1.562 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC000931438840 640201633 /nfs/dbraw/zinc/20/16/33/640201633.db2.gz QFUJXSVRHQJVJV-CRWXNKLISA-N 2 1 233.359 1.562 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC000931438840 640201638 /nfs/dbraw/zinc/20/16/38/640201638.db2.gz QFUJXSVRHQJVJV-CRWXNKLISA-N 2 1 233.359 1.562 20 30 BDEDMP CCC#C[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931721246 640340542 /nfs/dbraw/zinc/34/05/42/640340542.db2.gz LQKHDLSEKYEWQN-MCIONIFRSA-N 2 1 220.360 1.957 20 30 BDEDMP CCC#C[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931721246 640340546 /nfs/dbraw/zinc/34/05/46/640340546.db2.gz LQKHDLSEKYEWQN-MCIONIFRSA-N 2 1 220.360 1.957 20 30 BDEDMP C#CCC1([NH2+]CCCc2c[nH+]cn2C)CCC1 ZINC000933294751 640699908 /nfs/dbraw/zinc/69/99/08/640699908.db2.gz NEUURKLEGPALTE-UHFFFAOYSA-N 2 1 231.343 1.888 20 30 BDEDMP C[C@H]1CCC[N@@H+](CCCCNC(=[NH2+])N(C)C)C1 ZINC000170903795 640936428 /nfs/dbraw/zinc/93/64/28/640936428.db2.gz AINLCQSGUDJBLZ-LBPRGKRZSA-N 2 1 240.395 1.375 20 30 BDEDMP CC(C)[N@@H+](C)CCNC(=[NH2+])Nc1ccccn1 ZINC000170914458 640938654 /nfs/dbraw/zinc/93/86/54/640938654.db2.gz FSQLKTMZJZHOQU-UHFFFAOYSA-N 2 1 235.335 1.148 20 30 BDEDMP C=CCCC[N@@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000934649659 641235866 /nfs/dbraw/zinc/23/58/66/641235866.db2.gz WMRMPFDNXVJDFD-CQSZACIVSA-N 2 1 240.391 1.731 20 30 BDEDMP C=CCCC[N@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000934649659 641235872 /nfs/dbraw/zinc/23/58/72/641235872.db2.gz WMRMPFDNXVJDFD-CQSZACIVSA-N 2 1 240.391 1.731 20 30 BDEDMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])N(C)C)C1 ZINC000157385804 641618650 /nfs/dbraw/zinc/61/86/50/641618650.db2.gz HDTNSXXTOMTFKD-LBPRGKRZSA-N 2 1 240.395 1.231 20 30 BDEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])N(C)C1CC1 ZINC000305802294 642699322 /nfs/dbraw/zinc/69/93/22/642699322.db2.gz DVHYAFDKAYYRPE-JTQLQIEISA-N 2 1 226.368 1.126 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000923288467 644323809 /nfs/dbraw/zinc/32/38/09/644323809.db2.gz KAKNRVCMJVJVHI-AGIUHOORSA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@H](O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000923294780 644332277 /nfs/dbraw/zinc/33/22/77/644332277.db2.gz PMGBRJNGMOSBNE-STQMWFEESA-N 2 1 228.380 1.619 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000923334024 644354641 /nfs/dbraw/zinc/35/46/41/644354641.db2.gz GMADXTLXQQPCML-CHWSQXEVSA-N 2 1 226.364 1.387 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923355488 644373584 /nfs/dbraw/zinc/37/35/84/644373584.db2.gz MSWKATMNUCVOCK-UONOGXRCSA-N 2 1 238.375 1.389 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000923376547 644392428 /nfs/dbraw/zinc/39/24/28/644392428.db2.gz YRFCJQCAPANVOE-XQQFMLRXSA-N 2 1 226.364 1.230 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000923383591 644396280 /nfs/dbraw/zinc/39/62/80/644396280.db2.gz UMKUGIQANBENNY-CRWXNKLISA-N 2 1 240.391 1.619 20 30 BDEDMP C=CC[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923387625 644398591 /nfs/dbraw/zinc/39/85/91/644398591.db2.gz XNHLPEMXQLXBDF-CYDGBPFRSA-N 2 1 224.348 1.125 20 30 BDEDMP C=CCC[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000923426415 644421974 /nfs/dbraw/zinc/42/19/74/644421974.db2.gz DCRWMFKAXZYSIA-STQMWFEESA-N 2 1 238.375 1.578 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CC[C@@H]1C[NH3+] ZINC000923490330 644464493 /nfs/dbraw/zinc/46/44/93/644464493.db2.gz MXZSQVQZMONFQG-GHMZBOCLSA-N 2 1 233.315 1.568 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1C[NH3+] ZINC000923492939 644468032 /nfs/dbraw/zinc/46/80/32/644468032.db2.gz ZPQKZWGJDDYHHH-OLZOCXBDSA-N 2 1 243.354 1.975 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2ccncc2C#N)CC[C@H]1C[NH3+] ZINC000923493857 644471081 /nfs/dbraw/zinc/47/10/81/644471081.db2.gz ITCBBLCZFKAUKJ-NEPJUHHUSA-N 2 1 244.342 1.370 20 30 BDEDMP CC(C)[N@@H+](C)CCNC(=[NH2+])N1CCCCC1 ZINC000303972713 644861645 /nfs/dbraw/zinc/86/16/45/644861645.db2.gz GCDBGKWBRWFWIP-UHFFFAOYSA-N 2 1 226.368 1.127 20 30 BDEDMP CCCNC(=[NH2+])NC[C@@H]1CCCC[N@H+]1CC ZINC000304736370 644927168 /nfs/dbraw/zinc/92/71/68/644927168.db2.gz ABDLOZKCRGQFQB-NSHDSACASA-N 2 1 226.368 1.175 20 30 BDEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NC(C)C ZINC000304743605 644928973 /nfs/dbraw/zinc/92/89/73/644928973.db2.gz DERKDIOJNOCUSY-NSHDSACASA-N 2 1 226.368 1.174 20 30 BDEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000304754420 644931117 /nfs/dbraw/zinc/93/11/17/644931117.db2.gz LWJSVCFKTPXJIR-LBPRGKRZSA-N 2 1 238.379 1.129 20 30 BDEDMP C#CC[NH+](C)CCCC[N@@H+](CC#C)C[C@H]1C[C@@H]1C ZINC000859740543 645686140 /nfs/dbraw/zinc/68/61/40/645686140.db2.gz NUPCXZFQHJJWLH-JKSUJKDBSA-N 2 1 246.398 1.923 20 30 BDEDMP C#CC[NH+](CCCC[N@H+](C)CC#C)C[C@H]1C[C@@H]1C ZINC000859740543 645686151 /nfs/dbraw/zinc/68/61/51/645686151.db2.gz NUPCXZFQHJJWLH-JKSUJKDBSA-N 2 1 246.398 1.923 20 30 BDEDMP C#CC[NH+](CCCC[N@@H+](C)CC#C)C[C@H]1C[C@@H]1C ZINC000859740543 645686159 /nfs/dbraw/zinc/68/61/59/645686159.db2.gz NUPCXZFQHJJWLH-JKSUJKDBSA-N 2 1 246.398 1.923 20 30 BDEDMP C=CCN1CCC([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925550354 646326264 /nfs/dbraw/zinc/32/62/64/646326264.db2.gz RGMCHZINELQKLY-KGLIPLIRSA-N 2 1 249.402 1.496 20 30 BDEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925656879 646394861 /nfs/dbraw/zinc/39/48/61/646394861.db2.gz QLZQJKICWHCYHW-DGAVXFQQSA-N 2 1 238.375 1.698 20 30 BDEDMP C[C@H](CCC#N)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702432963 712052962 /nfs/dbraw/zinc/05/29/62/712052962.db2.gz OYOXKRLUNYAQJX-FRRDWIJNSA-N 2 1 221.348 1.562 20 30 BDEDMP C[C@H](CCC#N)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702432963 712052964 /nfs/dbraw/zinc/05/29/64/712052964.db2.gz OYOXKRLUNYAQJX-FRRDWIJNSA-N 2 1 221.348 1.562 20 30 BDEDMP C[NH+]1C[C@]2(C)C[N@@H+](CCCCC#N)C[C@]2(C)C1 ZINC000706258378 712142528 /nfs/dbraw/zinc/14/25/28/712142528.db2.gz YETZGGXYIYSSCL-OKILXGFUSA-N 2 1 235.375 1.954 20 30 BDEDMP C#CC[C@H](COC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000716843665 712578207 /nfs/dbraw/zinc/57/82/07/712578207.db2.gz CIVXGTHFVJBTJW-CYBMUJFWSA-N 2 1 236.359 1.241 20 30 BDEDMP C#C[C@@](C)(CC)[NH2+]CCn1cc[nH+]c1C ZINC000384185272 710807024 /nfs/dbraw/zinc/80/70/24/710807024.db2.gz RZGUBFLQOIRFGE-LBPRGKRZSA-N 2 1 205.305 1.583 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCSC1 ZINC000382185078 710837477 /nfs/dbraw/zinc/83/74/77/710837477.db2.gz GWOQJHOAFDLDFI-LLVKDONJSA-N 2 1 212.362 1.037 20 30 BDEDMP C#C[C@@](C)(CC)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000384219684 710835235 /nfs/dbraw/zinc/83/52/35/710835235.db2.gz RVJSLYDHHURGOA-STQMWFEESA-N 2 1 226.364 1.079 20 30 BDEDMP C#C[C@@](C)(CC)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000384219684 710835240 /nfs/dbraw/zinc/83/52/40/710835240.db2.gz RVJSLYDHHURGOA-STQMWFEESA-N 2 1 226.364 1.079 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCSC1 ZINC000382185078 710837474 /nfs/dbraw/zinc/83/74/74/710837474.db2.gz GWOQJHOAFDLDFI-LLVKDONJSA-N 2 1 212.362 1.037 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000723713664 711535550 /nfs/dbraw/zinc/53/55/50/711535550.db2.gz XFHMVTDXGPOSMO-AWEZNQCLSA-N 2 1 229.327 1.729 20 30 BDEDMP C[C@H](CCC#N)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702432963 712052961 /nfs/dbraw/zinc/05/29/61/712052961.db2.gz OYOXKRLUNYAQJX-FRRDWIJNSA-N 2 1 221.348 1.562 20 30 BDEDMP C[C@H](CCC#N)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702432963 712052960 /nfs/dbraw/zinc/05/29/60/712052960.db2.gz OYOXKRLUNYAQJX-FRRDWIJNSA-N 2 1 221.348 1.562 20 30 BDEDMP C[NH+]1C[C@]2(C)C[N@H+](CCCCC#N)C[C@]2(C)C1 ZINC000706258378 712142524 /nfs/dbraw/zinc/14/25/24/712142524.db2.gz YETZGGXYIYSSCL-OKILXGFUSA-N 2 1 235.375 1.954 20 30 BDEDMP C[N@@H+]1C[C@]2(C)C[NH+](CCCCC#N)C[C@]2(C)C1 ZINC000706258378 712142517 /nfs/dbraw/zinc/14/25/17/712142517.db2.gz YETZGGXYIYSSCL-OKILXGFUSA-N 2 1 235.375 1.954 20 30 BDEDMP C[N@H+]1C[C@]2(C)C[NH+](CCCCC#N)C[C@]2(C)C1 ZINC000706258378 712142521 /nfs/dbraw/zinc/14/25/21/712142521.db2.gz YETZGGXYIYSSCL-OKILXGFUSA-N 2 1 235.375 1.954 20 30 BDEDMP C#CCCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000717458074 712659361 /nfs/dbraw/zinc/65/93/61/712659361.db2.gz OVCKACQSOQNPLP-QWHCGFSZSA-N 2 1 206.333 1.568 20 30 BDEDMP C#CCCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000717458074 712659362 /nfs/dbraw/zinc/65/93/62/712659362.db2.gz OVCKACQSOQNPLP-QWHCGFSZSA-N 2 1 206.333 1.568 20 30 BDEDMP C#CCCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000717458074 712659363 /nfs/dbraw/zinc/65/93/63/712659363.db2.gz OVCKACQSOQNPLP-QWHCGFSZSA-N 2 1 206.333 1.568 20 30 BDEDMP C#CCCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000717458074 712659364 /nfs/dbraw/zinc/65/93/64/712659364.db2.gz OVCKACQSOQNPLP-QWHCGFSZSA-N 2 1 206.333 1.568 20 30 BDEDMP C=CC[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720869131 712872066 /nfs/dbraw/zinc/87/20/66/712872066.db2.gz CNOIGTJAARIPEO-HTQZYQBOSA-N 2 1 208.227 1.241 20 30 BDEDMP C=CC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720869131 712872069 /nfs/dbraw/zinc/87/20/69/712872069.db2.gz CNOIGTJAARIPEO-HTQZYQBOSA-N 2 1 208.227 1.241 20 30 BDEDMP C[C@H](CCC#N)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000695838483 960497988 /nfs/dbraw/zinc/49/79/88/960497988.db2.gz WRQGYEBVPBHTKK-FRRDWIJNSA-N 2 1 221.348 1.562 20 30 BDEDMP C[C@H](CCC#N)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000695838483 960497998 /nfs/dbraw/zinc/49/79/98/960497998.db2.gz WRQGYEBVPBHTKK-FRRDWIJNSA-N 2 1 221.348 1.562 20 30 BDEDMP C[C@H](CCC#N)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000695838483 960498007 /nfs/dbraw/zinc/49/80/07/960498007.db2.gz WRQGYEBVPBHTKK-FRRDWIJNSA-N 2 1 221.348 1.562 20 30 BDEDMP C=C[C@@](C)(O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001252574002 968825444 /nfs/dbraw/zinc/82/54/44/968825444.db2.gz KEZYUWRVTOXVQC-YVECIDJPSA-N 2 1 224.348 1.138 20 30 BDEDMP C=C[C@](C)(O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246027085 972120501 /nfs/dbraw/zinc/12/05/01/972120501.db2.gz WPGCNMQCZGZYBP-XQQFMLRXSA-N 2 1 226.364 1.230 20 30 BDEDMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)CC2)C[NH2+]1 ZINC001246206770 972217184 /nfs/dbraw/zinc/21/71/84/972217184.db2.gz SOICCEKLWMCOQG-LPWJVIDDSA-N 2 1 221.348 1.799 20 30 BDEDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[NH2+]1 ZINC000709341615 960527299 /nfs/dbraw/zinc/52/72/99/960527299.db2.gz DYUIVCVTKPOVNY-GWCFXTLKSA-N 2 1 247.317 1.927 20 30 BDEDMP C=CCc1cccc(C[N@@H+]2CCC[NH2+]CC2)c1O ZINC001204660793 961027407 /nfs/dbraw/zinc/02/74/07/961027407.db2.gz MIXSOKDHKSIJIB-UHFFFAOYSA-N 2 1 246.354 1.916 20 30 BDEDMP C=CCc1cccc(C[N@H+]2CCC[NH2+]CC2)c1O ZINC001204660793 961027427 /nfs/dbraw/zinc/02/74/27/961027427.db2.gz MIXSOKDHKSIJIB-UHFFFAOYSA-N 2 1 246.354 1.916 20 30 BDEDMP N#Cc1ccnc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206631833 962128003 /nfs/dbraw/zinc/12/80/03/962128003.db2.gz AOTJBJCLGOBHQX-ZDUSSCGKSA-N 2 1 244.342 1.514 20 30 BDEDMP N#Cc1ccnc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206631833 962128022 /nfs/dbraw/zinc/12/80/22/962128022.db2.gz AOTJBJCLGOBHQX-ZDUSSCGKSA-N 2 1 244.342 1.514 20 30 BDEDMP Cc1ccc(CC#N)c(N(C)C2CC[NH2+]CC2)[nH+]1 ZINC001156180882 963276226 /nfs/dbraw/zinc/27/62/26/963276226.db2.gz QZGLXZFBEZRKHJ-UHFFFAOYSA-N 2 1 244.342 1.644 20 30 BDEDMP C#CC[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000895563077 963435207 /nfs/dbraw/zinc/43/52/07/963435207.db2.gz SSRCVCKNQPTLTD-CYBMUJFWSA-N 2 1 220.360 1.673 20 30 BDEDMP Cc1[nH+]c(NCC[C@@H](C)[NH3+])ccc1CC#N ZINC001159778246 964191045 /nfs/dbraw/zinc/19/10/45/964191045.db2.gz JUJMKCSMWKZJOK-SECBINFHSA-N 2 1 218.304 1.605 20 30 BDEDMP Cc1[nH+]ccn1CCNc1cc[nH+]c(CC#N)c1 ZINC001163928841 965641474 /nfs/dbraw/zinc/64/14/74/965641474.db2.gz MYFZNRVHDUJYBI-UHFFFAOYSA-N 2 1 241.298 1.187 20 30 BDEDMP N#Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)ccn1 ZINC001205124075 965888229 /nfs/dbraw/zinc/88/82/29/965888229.db2.gz KBCHLTBEMYRUPF-GFCCVEGCSA-N 2 1 230.315 1.266 20 30 BDEDMP N#Cc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)ccn1 ZINC001205124075 965888237 /nfs/dbraw/zinc/88/82/37/965888237.db2.gz KBCHLTBEMYRUPF-GFCCVEGCSA-N 2 1 230.315 1.266 20 30 BDEDMP N#Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC001205109752 967350542 /nfs/dbraw/zinc/35/05/42/967350542.db2.gz LDSQCHKQJXTKDQ-LBPRGKRZSA-N 2 1 230.315 1.266 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC001205109752 967350552 /nfs/dbraw/zinc/35/05/52/967350552.db2.gz LDSQCHKQJXTKDQ-LBPRGKRZSA-N 2 1 230.315 1.266 20 30 BDEDMP CCC[N@@H+](CCC#N)CC1CC[NH+](C)CC1 ZINC001207398515 968753124 /nfs/dbraw/zinc/75/31/24/968753124.db2.gz WLOANGQHDNLSND-UHFFFAOYSA-N 2 1 223.364 1.954 20 30 BDEDMP C=CCC[C@H](O)C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001252614609 968872618 /nfs/dbraw/zinc/87/26/18/968872618.db2.gz MTELHLZNKBGYLZ-OLZOCXBDSA-N 2 1 226.364 1.387 20 30 BDEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405430178 968991207 /nfs/dbraw/zinc/99/12/07/968991207.db2.gz RXGAYWXYZIOGGW-DTWKUNHWSA-N 2 1 200.713 1.598 20 30 BDEDMP C=CC[NH+]1CCN(C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208607880 969162559 /nfs/dbraw/zinc/16/25/59/969162559.db2.gz OFDGADYBSZLMQY-CQSZACIVSA-N 2 1 237.391 1.132 20 30 BDEDMP C=CC[NH+]1CCN(C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208607880 969162567 /nfs/dbraw/zinc/16/25/67/969162567.db2.gz OFDGADYBSZLMQY-CQSZACIVSA-N 2 1 237.391 1.132 20 30 BDEDMP C=C[C@@H](O)CN1CCC([N@@H+](C)C2CC2)CC1 ZINC001253583974 969259555 /nfs/dbraw/zinc/25/95/55/969259555.db2.gz CGZXMPVKVFMGSB-CYBMUJFWSA-N 2 1 224.348 1.092 20 30 BDEDMP C=C[C@@H](O)C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001253583974 969259562 /nfs/dbraw/zinc/25/95/62/969259562.db2.gz CGZXMPVKVFMGSB-CYBMUJFWSA-N 2 1 224.348 1.092 20 30 BDEDMP C=C[C@@H](O)C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001253583974 969259568 /nfs/dbraw/zinc/25/95/68/969259568.db2.gz CGZXMPVKVFMGSB-CYBMUJFWSA-N 2 1 224.348 1.092 20 30 BDEDMP C=C[C@@H](O)C[N@H+](C)C1CC[NH+](CCCC)CC1 ZINC001253588042 969276843 /nfs/dbraw/zinc/27/68/43/969276843.db2.gz RGKOZHSAQDYLQY-CQSZACIVSA-N 2 1 240.391 1.730 20 30 BDEDMP CC[NH+]1CCC([NH+]2CCC(S)CC2)CC1 ZINC001169264513 969519584 /nfs/dbraw/zinc/51/95/84/969519584.db2.gz GMKJLRZFHKXITF-UHFFFAOYSA-N 2 1 228.405 1.865 20 30 BDEDMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC001254656193 969766091 /nfs/dbraw/zinc/76/60/91/969766091.db2.gz IXIOYCVQNUJCDJ-SRVKXCTJSA-N 2 1 207.321 1.220 20 30 BDEDMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@H](C#N)C1 ZINC001254676849 969784199 /nfs/dbraw/zinc/78/41/99/969784199.db2.gz OJTNEVQKVBGESK-QWHCGFSZSA-N 2 1 223.364 1.952 20 30 BDEDMP C=C[C@@H](COC)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001255019206 969848969 /nfs/dbraw/zinc/84/89/69/969848969.db2.gz OKDDLFVJHRNBGA-ZDUSSCGKSA-N 2 1 238.375 1.651 20 30 BDEDMP CCCCCCCC[N@H+]1CCNCC[NH2+]CC1 ZINC000200474674 970117105 /nfs/dbraw/zinc/11/71/05/970117105.db2.gz VMYBAJDMJWQEHB-UHFFFAOYSA-N 2 1 241.423 1.842 20 30 BDEDMP C=CC[N@H+]1CCC[C@H]1CNC1CC[NH+](C)CC1 ZINC001256198195 970690516 /nfs/dbraw/zinc/69/05/16/970690516.db2.gz CVYNWHULUDGWHE-AWEZNQCLSA-N 2 1 237.391 1.321 20 30 BDEDMP C=CC[N@@H+]1CCC[C@H]1CNC1CC[NH+](C)CC1 ZINC001256198195 970690527 /nfs/dbraw/zinc/69/05/27/970690527.db2.gz CVYNWHULUDGWHE-AWEZNQCLSA-N 2 1 237.391 1.321 20 30 BDEDMP C=CCCC[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146711534 973229511 /nfs/dbraw/zinc/22/95/11/973229511.db2.gz UVJJDSFTDUCBQP-UHFFFAOYSA-N 2 1 241.379 1.000 20 30 BDEDMP N#CC1CCC([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246876567 973273380 /nfs/dbraw/zinc/27/33/80/973273380.db2.gz ZRXDNZKOPYMBEC-ADPBJBESSA-N 2 1 205.305 1.102 20 30 BDEDMP N#CC1CCC([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246876567 973273405 /nfs/dbraw/zinc/27/34/05/973273405.db2.gz ZRXDNZKOPYMBEC-ADPBJBESSA-N 2 1 205.305 1.102 20 30 BDEDMP C[NH+]1CCC(C[N@H+]2CCC[C@H](C#N)C2)CC1 ZINC000691570679 977161123 /nfs/dbraw/zinc/16/11/23/977161123.db2.gz BFWHEZLTHAGPFO-CYBMUJFWSA-N 2 1 221.348 1.564 20 30 BDEDMP C[C@@H]([NH2+]Cc1cc(C#N)ccn1)[C@H]1CCC[NH2+]C1 ZINC001576243322 984161608 /nfs/dbraw/zinc/16/16/08/984161608.db2.gz AAWKCLCOGMSNPA-YPMHNXCESA-N 2 1 244.342 1.431 20 30 BDEDMP CC[NH2+]C1CC[NH+](CCCSCC#N)CC1 ZINC001577821523 984806519 /nfs/dbraw/zinc/80/65/19/984806519.db2.gz SUIRWHVEBHOFRT-UHFFFAOYSA-N 2 1 241.404 1.707 20 30 BDEDMP C[N@@H+](CCOCCC#N)C[C@@H]1CCC[NH+](C)C1 ZINC000687776663 985380784 /nfs/dbraw/zinc/38/07/84/985380784.db2.gz JPIWFJMBQOZNJN-CYBMUJFWSA-N 2 1 239.363 1.190 20 30 BDEDMP C[NH+](CCOCCC#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000687776663 985380795 /nfs/dbraw/zinc/38/07/95/985380795.db2.gz JPIWFJMBQOZNJN-CYBMUJFWSA-N 2 1 239.363 1.190 20 30 BDEDMP C[NH+](CCOCCC#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000687776663 985380814 /nfs/dbraw/zinc/38/08/14/985380814.db2.gz JPIWFJMBQOZNJN-CYBMUJFWSA-N 2 1 239.363 1.190 20 30 BDEDMP COCC#CC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001578948580 985559186 /nfs/dbraw/zinc/55/91/86/985559186.db2.gz CGRHUXXMNBCXRK-AWEZNQCLSA-N 2 1 236.359 1.102 20 30 BDEDMP COCC#CC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001578948580 985559211 /nfs/dbraw/zinc/55/92/11/985559211.db2.gz CGRHUXXMNBCXRK-AWEZNQCLSA-N 2 1 236.359 1.102 20 30 BDEDMP COCC#CC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001460965162 985962870 /nfs/dbraw/zinc/96/28/70/985962870.db2.gz NAGFECJPZWGRCP-UHFFFAOYSA-N 2 1 247.342 1.249 20 30 BDEDMP C=C[C@](C)(O)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246023741 987318980 /nfs/dbraw/zinc/31/89/80/987318980.db2.gz SQQGCBQQENCPPE-NWDGAFQWSA-N 2 1 230.327 1.076 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246033226 987334971 /nfs/dbraw/zinc/33/49/71/987334971.db2.gz UKDAXYFVAWKICB-RDBSUJKOSA-N 2 1 240.391 1.620 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246035182 987338210 /nfs/dbraw/zinc/33/82/10/987338210.db2.gz YQYBLXRNLJQANB-SRVKXCTJSA-N 2 1 230.327 1.075 20 30 BDEDMP CCCCCCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246486798 987843310 /nfs/dbraw/zinc/84/33/10/987843310.db2.gz FODDJXKSKIIQFW-UONOGXRCSA-N 2 1 241.423 1.886 20 30 BDEDMP CC[C@H](CC#N)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246552841 987950059 /nfs/dbraw/zinc/95/00/59/987950059.db2.gz VTWJZGBSRSACFA-VXGBXAGGSA-N 2 1 227.327 1.832 20 30 BDEDMP CC[C@@H](CC#N)[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246552521 987955202 /nfs/dbraw/zinc/95/52/02/987955202.db2.gz PNMCMOSQZADPJW-RYUDHWBXSA-N 2 1 209.337 1.882 20 30 BDEDMP CC[C@@H](CC#N)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246552521 987955208 /nfs/dbraw/zinc/95/52/08/987955208.db2.gz PNMCMOSQZADPJW-RYUDHWBXSA-N 2 1 209.337 1.882 20 30 BDEDMP N#C[C@H]1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246635060 988315790 /nfs/dbraw/zinc/31/57/90/988315790.db2.gz PZAZJCKMKXZXED-FIQHERPVSA-N 2 1 205.305 1.115 20 30 BDEDMP N#C[C@H]1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246635060 988315799 /nfs/dbraw/zinc/31/57/99/988315799.db2.gz PZAZJCKMKXZXED-FIQHERPVSA-N 2 1 205.305 1.115 20 30 BDEDMP C[C@H]1C[C@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC[NH2+]1 ZINC001246835934 988531563 /nfs/dbraw/zinc/53/15/63/988531563.db2.gz VXPHVZVIIXKDCZ-QSLWVIQJSA-N 2 1 233.359 1.893 20 30 BDEDMP N#CC1CCC([N@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC001246918868 988724165 /nfs/dbraw/zinc/72/41/65/988724165.db2.gz XYROAOYMXRRYRG-HTAVTVPLSA-N 2 1 207.321 1.492 20 30 BDEDMP N#CC1CCC([N@@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC001246918868 988724185 /nfs/dbraw/zinc/72/41/85/988724185.db2.gz XYROAOYMXRRYRG-HTAVTVPLSA-N 2 1 207.321 1.492 20 30 BDEDMP C#CCOCC[N@H+](C)CCC[NH+]1CCCCC1 ZINC001324299455 988787796 /nfs/dbraw/zinc/78/77/96/988787796.db2.gz QVTKTYJWJYTBCN-UHFFFAOYSA-N 2 1 238.375 1.444 20 30 BDEDMP C#CCOCC[N@@H+](C)CCC[NH+]1CCCCC1 ZINC001324299455 988787803 /nfs/dbraw/zinc/78/78/03/988787803.db2.gz QVTKTYJWJYTBCN-UHFFFAOYSA-N 2 1 238.375 1.444 20 30 BDEDMP C#C[C@@H](C)[N@@H+](C)Cc1cccc(C[NH3+])c1 ZINC001574459175 992863651 /nfs/dbraw/zinc/86/36/51/992863651.db2.gz ZAGFEWKVODOGMD-LLVKDONJSA-N 2 1 202.301 1.599 20 30 BDEDMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001576382248 993290668 /nfs/dbraw/zinc/29/06/68/993290668.db2.gz JHMODHZMMWJNRM-KBPBESRZSA-N 2 1 246.329 1.893 20 30 BDEDMP C[C@H](C#N)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063120770 187323361 /nfs/dbraw/zinc/32/33/61/187323361.db2.gz SWCCJBNKEAUANC-LLVKDONJSA-N 2 1 209.337 1.420 20 30 BDEDMP C=C(C)[C@@H](CO)[N@H+](C)CCCn1cc[nH+]c1C ZINC000649391763 398195648 /nfs/dbraw/zinc/19/56/48/398195648.db2.gz BQVIZQZFEIHXPW-CYBMUJFWSA-N 2 1 237.347 1.450 20 30 BDEDMP C=C(C)[C@@H](CO)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000649391763 398195651 /nfs/dbraw/zinc/19/56/51/398195651.db2.gz BQVIZQZFEIHXPW-CYBMUJFWSA-N 2 1 237.347 1.450 20 30 BDEDMP C[C@H](CCC#N)C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000602474483 349562460 /nfs/dbraw/zinc/56/24/60/349562460.db2.gz PQDZLFDLRLFHNV-FRRDWIJNSA-N 2 1 221.348 1.610 20 30 BDEDMP C[C@H](CCC#N)C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000602474483 349562461 /nfs/dbraw/zinc/56/24/61/349562461.db2.gz PQDZLFDLRLFHNV-FRRDWIJNSA-N 2 1 221.348 1.610 20 30 BDEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000602558463 349598562 /nfs/dbraw/zinc/59/85/62/349598562.db2.gz AUDHLPUVKIJTQP-JHJVBQTASA-N 2 1 223.364 1.999 20 30 BDEDMP C[C@H](CCC#N)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000602592455 349614927 /nfs/dbraw/zinc/61/49/27/349614927.db2.gz RFGGNBHDSCJJSB-RDBSUJKOSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000602592455 349614930 /nfs/dbraw/zinc/61/49/30/349614930.db2.gz RFGGNBHDSCJJSB-RDBSUJKOSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000602592455 349614933 /nfs/dbraw/zinc/61/49/33/349614933.db2.gz RFGGNBHDSCJJSB-RDBSUJKOSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000602592455 349614937 /nfs/dbraw/zinc/61/49/37/349614937.db2.gz RFGGNBHDSCJJSB-RDBSUJKOSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@@H](CCC#N)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000602670614 349665856 /nfs/dbraw/zinc/66/58/56/349665856.db2.gz AFESIRMOVIFWDN-KBPBESRZSA-N 2 1 235.375 1.954 20 30 BDEDMP C[C@@H](CCC#N)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000602670614 349665857 /nfs/dbraw/zinc/66/58/57/349665857.db2.gz AFESIRMOVIFWDN-KBPBESRZSA-N 2 1 235.375 1.954 20 30 BDEDMP C[C@@H](CCC#N)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000602670614 349665860 /nfs/dbraw/zinc/66/58/60/349665860.db2.gz AFESIRMOVIFWDN-KBPBESRZSA-N 2 1 235.375 1.954 20 30 BDEDMP N#CCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158008811 398340752 /nfs/dbraw/zinc/34/07/52/398340752.db2.gz GHRPZACNHXDBBU-CHWSQXEVSA-N 2 1 221.348 1.897 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)c1ccccc1 ZINC000313569347 259336723 /nfs/dbraw/zinc/33/67/23/259336723.db2.gz VODDVJAVGXFKEK-OAHLLOKOSA-N 2 1 246.354 1.265 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)c1ccccc1 ZINC000313569347 259336725 /nfs/dbraw/zinc/33/67/25/259336725.db2.gz VODDVJAVGXFKEK-OAHLLOKOSA-N 2 1 246.354 1.265 20 30 BDEDMP CCC[N@@H+](CC)CCNC(=[NH2+])Nc1ccccn1 ZINC000176968979 346919138 /nfs/dbraw/zinc/91/91/38/346919138.db2.gz NAUVIZPGIXZTAJ-UHFFFAOYSA-N 2 1 249.362 1.540 20 30 BDEDMP C=C(C)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363258299 136269092 /nfs/dbraw/zinc/26/90/92/136269092.db2.gz FKLFZWLYTVLBAO-MGPQQGTHSA-N 2 1 220.360 1.979 20 30 BDEDMP C=C(C)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363258299 136269093 /nfs/dbraw/zinc/26/90/93/136269093.db2.gz FKLFZWLYTVLBAO-MGPQQGTHSA-N 2 1 220.360 1.979 20 30 BDEDMP C=C(C)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363258299 136269094 /nfs/dbraw/zinc/26/90/94/136269094.db2.gz FKLFZWLYTVLBAO-MGPQQGTHSA-N 2 1 220.360 1.979 20 30 BDEDMP CC#CC[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350251997 136357042 /nfs/dbraw/zinc/35/70/42/136357042.db2.gz MPHOOAUDLQNMFA-CQSZACIVSA-N 2 1 238.375 1.442 20 30 BDEDMP C#CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000133294038 344316854 /nfs/dbraw/zinc/31/68/54/344316854.db2.gz PHYCVXWBCROYMP-STQMWFEESA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000133294038 344316855 /nfs/dbraw/zinc/31/68/55/344316855.db2.gz PHYCVXWBCROYMP-STQMWFEESA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000133294038 344316858 /nfs/dbraw/zinc/31/68/58/344316858.db2.gz PHYCVXWBCROYMP-STQMWFEESA-N 2 1 206.333 1.426 20 30 BDEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000050245318 192084541 /nfs/dbraw/zinc/08/45/41/192084541.db2.gz HMILLFBAIWSRBR-ZDUSSCGKSA-N 2 1 215.300 1.339 20 30 BDEDMP C[C@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)CC[N@H+]1C ZINC000158266296 345314112 /nfs/dbraw/zinc/31/41/12/345314112.db2.gz LYOXLRNHODTPDR-RYUDHWBXSA-N 2 1 221.348 1.753 20 30 BDEDMP CN(CCCC#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377396221 346632364 /nfs/dbraw/zinc/63/23/64/346632364.db2.gz CACFSKHUXOFHCQ-FUNVUKJBSA-N 2 1 221.348 1.847 20 30 BDEDMP C[N@H+](CCCC#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377396221 346632368 /nfs/dbraw/zinc/63/23/68/346632368.db2.gz CACFSKHUXOFHCQ-FUNVUKJBSA-N 2 1 221.348 1.847 20 30 BDEDMP C[N@@H+](CCCC#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377396221 346632371 /nfs/dbraw/zinc/63/23/71/346632371.db2.gz CACFSKHUXOFHCQ-FUNVUKJBSA-N 2 1 221.348 1.847 20 30 BDEDMP C[C@H](C[NH3+])[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591578181 347677684 /nfs/dbraw/zinc/67/76/84/347677684.db2.gz KVPFBWQWWSJPCY-YGRLFVJLSA-N 2 1 229.327 1.872 20 30 BDEDMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc(C#N)c1 ZINC000591580592 347677836 /nfs/dbraw/zinc/67/78/36/347677836.db2.gz AESJCGQLAKBKRH-VHSXEESVSA-N 2 1 203.289 1.556 20 30 BDEDMP CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(C#N)cc1 ZINC000591580695 347678026 /nfs/dbraw/zinc/67/80/26/347678026.db2.gz MQTHEPCMOJWASA-GXFFZTMASA-N 2 1 217.316 1.946 20 30 BDEDMP C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000595887010 348389494 /nfs/dbraw/zinc/38/94/94/348389494.db2.gz BIOBDQVIBWTVNM-DOMZBBRYSA-N 2 1 243.354 1.770 20 30 BDEDMP C[C@@]1(C#N)CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000595905044 348396374 /nfs/dbraw/zinc/39/63/74/348396374.db2.gz PCNYUHTXURKQQW-OLZOCXBDSA-N 2 1 221.348 1.612 20 30 BDEDMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000596651031 348606057 /nfs/dbraw/zinc/60/60/57/348606057.db2.gz OCGNFFSIIWACCI-DOMZBBRYSA-N 2 1 243.354 1.688 20 30 BDEDMP N#C[C@@H]1CCC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000596651174 348606234 /nfs/dbraw/zinc/60/62/34/348606234.db2.gz ARPUYYSBRSPFBX-IGJPJIBNSA-N 2 1 219.332 1.410 20 30 BDEDMP N#C[C@@H]1CC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000602022984 349419811 /nfs/dbraw/zinc/41/98/11/349419811.db2.gz VILZFRYNNFVBQY-ZYGVAYEYSA-N 2 1 205.305 1.020 20 30 BDEDMP C=CC[N@H+](CCOC)CCn1cc[nH+]c1C ZINC000336666038 350426500 /nfs/dbraw/zinc/42/65/00/350426500.db2.gz KISGVKBNZROOHX-UHFFFAOYSA-N 2 1 223.320 1.326 20 30 BDEDMP C=CC[N@@H+](CCOC)CCn1cc[nH+]c1C ZINC000336666038 350426504 /nfs/dbraw/zinc/42/65/04/350426504.db2.gz KISGVKBNZROOHX-UHFFFAOYSA-N 2 1 223.320 1.326 20 30 BDEDMP Cc1[nH+]ccn1CCN(C[C@@H](C)C#N)C1CC1 ZINC000336716599 350472075 /nfs/dbraw/zinc/47/20/75/350472075.db2.gz VVXQQXRYJMAYFW-NSHDSACASA-N 2 1 232.331 1.816 20 30 BDEDMP Cn1ccnc1C[C@H]1CCC[N@@H+](CCCC#N)C1 ZINC000119993105 358465797 /nfs/dbraw/zinc/46/57/97/358465797.db2.gz HGXBJRINMHEQSV-CYBMUJFWSA-N 2 1 246.358 1.978 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000336740146 352368536 /nfs/dbraw/zinc/36/85/36/352368536.db2.gz LZCWVUGFPBOCBN-FRRDWIJNSA-N 2 1 226.364 1.101 20 30 BDEDMP C=C(C)COCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252728450 353302949 /nfs/dbraw/zinc/30/29/49/353302949.db2.gz BMHMDDMHWKQFIA-CHWSQXEVSA-N 2 1 226.364 1.509 20 30 BDEDMP C#CC[N@H+](C)CCCNc1[nH+]cnc2[nH]ccc21 ZINC000292673073 353720722 /nfs/dbraw/zinc/72/07/22/353720722.db2.gz DGYHKOYIDIRVIJ-UHFFFAOYSA-N 2 1 243.314 1.325 20 30 BDEDMP C#CC[N@@H+](C)CCCNc1[nH+]cnc2[nH]ccc21 ZINC000292673073 353720726 /nfs/dbraw/zinc/72/07/26/353720726.db2.gz DGYHKOYIDIRVIJ-UHFFFAOYSA-N 2 1 243.314 1.325 20 30 BDEDMP C=CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000334541160 353975602 /nfs/dbraw/zinc/97/56/02/353975602.db2.gz SVHSRCNZYQJNJW-CHWSQXEVSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000334541160 353975605 /nfs/dbraw/zinc/97/56/05/353975605.db2.gz SVHSRCNZYQJNJW-CHWSQXEVSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000334541160 353975608 /nfs/dbraw/zinc/97/56/08/353975608.db2.gz SVHSRCNZYQJNJW-CHWSQXEVSA-N 2 1 208.349 1.979 20 30 BDEDMP N#Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107574076 181106014 /nfs/dbraw/zinc/10/60/14/181106014.db2.gz JUMIPCSIWMVVDF-OKILXGFUSA-N 2 1 227.311 1.209 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107574076 181106017 /nfs/dbraw/zinc/10/60/17/181106017.db2.gz JUMIPCSIWMVVDF-OKILXGFUSA-N 2 1 227.311 1.209 20 30 BDEDMP C=CC[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420312914 192209979 /nfs/dbraw/zinc/20/99/79/192209979.db2.gz JDDFZEWRPFHVKF-KBPBESRZSA-N 2 1 234.343 1.035 20 30 BDEDMP C=CC[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420312914 192209982 /nfs/dbraw/zinc/20/99/82/192209982.db2.gz JDDFZEWRPFHVKF-KBPBESRZSA-N 2 1 234.343 1.035 20 30 BDEDMP CC#CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683246 356593240 /nfs/dbraw/zinc/59/32/40/356593240.db2.gz UDEUDEHFMWXQDX-UHFFFAOYSA-N 2 1 229.327 1.617 20 30 BDEDMP C=CCC[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000389932506 357069698 /nfs/dbraw/zinc/06/96/98/357069698.db2.gz LLQGUDKFNUKGGI-NSHDSACASA-N 2 1 207.321 1.907 20 30 BDEDMP C=CC[C@@H](CC)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000393840505 357302931 /nfs/dbraw/zinc/30/29/31/357302931.db2.gz HLSNZVUHBMFHIM-YPMHNXCESA-N 2 1 226.364 1.386 20 30 BDEDMP C=CC[C@@H](CC)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000393840505 357302934 /nfs/dbraw/zinc/30/29/34/357302934.db2.gz HLSNZVUHBMFHIM-YPMHNXCESA-N 2 1 226.364 1.386 20 30 BDEDMP N#CC1(C[N@@H+]2CCC[C@H](n3ccnc3)C2)CC1 ZINC000611429552 359367345 /nfs/dbraw/zinc/36/73/45/359367345.db2.gz OJHCVJWOSGSHNQ-LBPRGKRZSA-N 2 1 230.315 1.824 20 30 BDEDMP C=CCOCC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000309498120 491150244 /nfs/dbraw/zinc/15/02/44/491150244.db2.gz ZAAZMFSGZQSIRB-OLZOCXBDSA-N 2 1 226.364 1.509 20 30 BDEDMP C=CCOCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429003795 201057786 /nfs/dbraw/zinc/05/77/86/201057786.db2.gz KVHWPJVJQNFKFO-CQSZACIVSA-N 2 1 238.375 1.607 20 30 BDEDMP C=CCOCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429003795 201057789 /nfs/dbraw/zinc/05/77/89/201057789.db2.gz KVHWPJVJQNFKFO-CQSZACIVSA-N 2 1 238.375 1.607 20 30 BDEDMP C=CCOCCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429003795 201057794 /nfs/dbraw/zinc/05/77/94/201057794.db2.gz KVHWPJVJQNFKFO-CQSZACIVSA-N 2 1 238.375 1.607 20 30 BDEDMP C=CCCCCC[N@H+](C)C[C@](C)(O)C[NH2+]C ZINC000574816611 365151355 /nfs/dbraw/zinc/15/13/55/365151355.db2.gz PILNLXNCZGVMRD-CYBMUJFWSA-N 2 1 228.380 1.635 20 30 BDEDMP C#CCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367592551 367087209 /nfs/dbraw/zinc/08/72/09/367087209.db2.gz DBVLTAPJDFAWGN-MCIONIFRSA-N 2 1 220.360 1.862 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000384668448 367714000 /nfs/dbraw/zinc/71/40/00/367714000.db2.gz XKXXOGSLLOWPBD-RWMBFGLXSA-N 2 1 224.348 1.097 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000384668448 367714005 /nfs/dbraw/zinc/71/40/05/367714005.db2.gz XKXXOGSLLOWPBD-RWMBFGLXSA-N 2 1 224.348 1.097 20 30 BDEDMP C[N@H+](Cc1ccc(C#N)o1)CC(C)(C)C[NH3+] ZINC000600767762 369560936 /nfs/dbraw/zinc/56/09/36/369560936.db2.gz COVPEBSNOPZIBM-UHFFFAOYSA-N 2 1 221.304 1.568 20 30 BDEDMP C[N@@H+](Cc1ccc(C#N)o1)CC(C)(C)C[NH3+] ZINC000600767762 369560940 /nfs/dbraw/zinc/56/09/40/369560940.db2.gz COVPEBSNOPZIBM-UHFFFAOYSA-N 2 1 221.304 1.568 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)o1 ZINC000600769816 369563696 /nfs/dbraw/zinc/56/36/96/369563696.db2.gz RTFVYTCKRNXXSM-LLVKDONJSA-N 2 1 233.315 1.712 20 30 BDEDMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602580834 369818697 /nfs/dbraw/zinc/81/86/97/369818697.db2.gz IFMLEMVRUIZXAW-UHFFFAOYSA-N 2 1 242.326 1.305 20 30 BDEDMP C[N@@H+](Cc1cccc(C#N)c1)CC(C)(C)C[NH3+] ZINC000093861155 371188024 /nfs/dbraw/zinc/18/80/24/371188024.db2.gz DLHUJTDSYAAWJT-UHFFFAOYSA-N 2 1 231.343 1.975 20 30 BDEDMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H](C)C1 ZINC000424328769 206037318 /nfs/dbraw/zinc/03/73/18/206037318.db2.gz ONBZZLJUEVUHHJ-FQUUOJAGSA-N 2 1 235.375 1.999 20 30 BDEDMP C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1c[nH+]ccc1N ZINC000424378896 206039988 /nfs/dbraw/zinc/03/99/88/206039988.db2.gz UFAJTCMHFJMXJA-OUAUKWLOSA-N 2 1 230.315 1.837 20 30 BDEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCC#N ZINC000167257280 206144757 /nfs/dbraw/zinc/14/47/57/206144757.db2.gz MAOZOVUBERVUEW-JHJVBQTASA-N 2 1 223.364 1.999 20 30 BDEDMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000235144879 384208780 /nfs/dbraw/zinc/20/87/80/384208780.db2.gz HCUXCGXEOZYIJL-UWVGGRQHSA-N 2 1 203.289 1.556 20 30 BDEDMP C#CCC[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000368579245 533048066 /nfs/dbraw/zinc/04/80/66/533048066.db2.gz CFIWEGGAXDIDTF-HNNXBMFYSA-N 2 1 249.402 1.112 20 30 BDEDMP C#CCC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000368579245 533048069 /nfs/dbraw/zinc/04/80/69/533048069.db2.gz CFIWEGGAXDIDTF-HNNXBMFYSA-N 2 1 249.402 1.112 20 30 BDEDMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000235459081 384405513 /nfs/dbraw/zinc/40/55/13/384405513.db2.gz HCUXCGXEOZYIJL-ZJUUUORDSA-N 2 1 203.289 1.556 20 30 BDEDMP C[NH+]1CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000308914934 384385394 /nfs/dbraw/zinc/38/53/94/384385394.db2.gz FQMFITGXEQRGAV-JQWIXIFHSA-N 2 1 207.321 1.362 20 30 BDEDMP C=CC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363710819 384721376 /nfs/dbraw/zinc/72/13/76/384721376.db2.gz FXITYPPRPSJNAE-MGPQQGTHSA-N 2 1 238.375 1.651 20 30 BDEDMP N#CCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000158071566 385337565 /nfs/dbraw/zinc/33/75/65/385337565.db2.gz ZALARKRAEDTXJX-OLZOCXBDSA-N 2 1 233.359 1.897 20 30 BDEDMP C[C@H](C[NH2+]Cc1cc(C#N)n(C)c1)C[NH+](C)C ZINC000291651795 385904916 /nfs/dbraw/zinc/90/49/16/385904916.db2.gz CTHDTQKSFHHRKD-LLVKDONJSA-N 2 1 234.347 1.184 20 30 BDEDMP CC#CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000365568260 386169215 /nfs/dbraw/zinc/16/92/15/386169215.db2.gz DRCOXBBWJNWYAL-MCIONIFRSA-N 2 1 218.344 1.426 20 30 BDEDMP CC#CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000365568260 386169219 /nfs/dbraw/zinc/16/92/19/386169219.db2.gz DRCOXBBWJNWYAL-MCIONIFRSA-N 2 1 218.344 1.426 20 30 BDEDMP CC#CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365568260 386169224 /nfs/dbraw/zinc/16/92/24/386169224.db2.gz DRCOXBBWJNWYAL-MCIONIFRSA-N 2 1 218.344 1.426 20 30 BDEDMP CC#CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365568260 386169226 /nfs/dbraw/zinc/16/92/26/386169226.db2.gz DRCOXBBWJNWYAL-MCIONIFRSA-N 2 1 218.344 1.426 20 30 BDEDMP CC[N@H+]1CCC[C@@H]1CNc1cc(C)ncc1C#N ZINC000399386088 386783419 /nfs/dbraw/zinc/78/34/19/386783419.db2.gz QKMCXMAPGMPJDA-CYBMUJFWSA-N 2 1 244.342 1.580 20 30 BDEDMP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000423391540 387276713 /nfs/dbraw/zinc/27/67/13/387276713.db2.gz XAALMEUJIDKRON-UTUOFQBUSA-N 2 1 209.337 1.656 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1C ZINC000392791428 387288121 /nfs/dbraw/zinc/28/81/21/387288121.db2.gz MMJYZVKTFCLOTN-QWHCGFSZSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1C ZINC000392791428 387288126 /nfs/dbraw/zinc/28/81/26/387288126.db2.gz MMJYZVKTFCLOTN-QWHCGFSZSA-N 2 1 208.349 1.720 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000442709471 387827374 /nfs/dbraw/zinc/82/73/74/387827374.db2.gz OECMMFCGXBHLJD-JHJVBQTASA-N 2 1 233.359 1.753 20 30 BDEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423092577 387882095 /nfs/dbraw/zinc/88/20/95/387882095.db2.gz CKQZXOPYFOMGLY-MQYQWHSLSA-N 2 1 238.375 1.555 20 30 BDEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423092576 387882220 /nfs/dbraw/zinc/88/22/20/387882220.db2.gz CKQZXOPYFOMGLY-DGAVXFQQSA-N 2 1 238.375 1.555 20 30 BDEDMP C=CCC[C@@H](CO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423165731 387948612 /nfs/dbraw/zinc/94/86/12/387948612.db2.gz UTSDGQPHKXZYSG-SDDRHHMPSA-N 2 1 212.337 1.044 20 30 BDEDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424316230 387967640 /nfs/dbraw/zinc/96/76/40/387967640.db2.gz AVZLNONSWQCVAR-WUHRBBMRSA-N 2 1 221.348 1.608 20 30 BDEDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424316230 387967645 /nfs/dbraw/zinc/96/76/45/387967645.db2.gz AVZLNONSWQCVAR-WUHRBBMRSA-N 2 1 221.348 1.608 20 30 BDEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424330543 387975957 /nfs/dbraw/zinc/97/59/57/387975957.db2.gz RALZAIPUQLRRMF-HTOAHKCRSA-N 2 1 235.375 1.997 20 30 BDEDMP C#CC[N@H+](CC#CC)CCCCn1cc[nH+]c1C ZINC000490892539 388258186 /nfs/dbraw/zinc/25/81/86/388258186.db2.gz LPHVLQDUZUTHSX-UHFFFAOYSA-N 2 1 243.354 1.930 20 30 BDEDMP C#CC[N@@H+](CC#CC)CCCCn1cc[nH+]c1C ZINC000490892539 388258187 /nfs/dbraw/zinc/25/81/87/388258187.db2.gz LPHVLQDUZUTHSX-UHFFFAOYSA-N 2 1 243.354 1.930 20 30 BDEDMP CC(C)(C#N)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000164697071 388397577 /nfs/dbraw/zinc/39/75/77/388397577.db2.gz VMFLAVTVVUIQNU-NWDGAFQWSA-N 2 1 221.348 1.753 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)C1 ZINC000328130798 388451919 /nfs/dbraw/zinc/45/19/19/388451919.db2.gz WLKJBSQBCUZYPA-QWHCGFSZSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)C1 ZINC000328130798 388451921 /nfs/dbraw/zinc/45/19/21/388451921.db2.gz WLKJBSQBCUZYPA-QWHCGFSZSA-N 2 1 208.349 1.720 20 30 BDEDMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000423455782 388692606 /nfs/dbraw/zinc/69/26/06/388692606.db2.gz CVQBWJPQTLAMRN-ZWNOBZJWSA-N 2 1 217.316 1.946 20 30 BDEDMP C=CCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000336369526 134145275 /nfs/dbraw/zinc/14/52/75/134145275.db2.gz PRZSDPOMADCNAA-CYBMUJFWSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000336369526 134145276 /nfs/dbraw/zinc/14/52/76/134145276.db2.gz PRZSDPOMADCNAA-CYBMUJFWSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000336369526 134145277 /nfs/dbraw/zinc/14/52/77/134145277.db2.gz PRZSDPOMADCNAA-CYBMUJFWSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CCC[C@@H](O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000367846716 134216613 /nfs/dbraw/zinc/21/66/13/134216613.db2.gz CFPQDQVQCZBSQX-KGLIPLIRSA-N 2 1 238.375 1.341 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367846716 134216614 /nfs/dbraw/zinc/21/66/14/134216614.db2.gz CFPQDQVQCZBSQX-KGLIPLIRSA-N 2 1 238.375 1.341 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367846716 134216615 /nfs/dbraw/zinc/21/66/15/134216615.db2.gz CFPQDQVQCZBSQX-KGLIPLIRSA-N 2 1 238.375 1.341 20 30 BDEDMP C=CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CC1 ZINC000121055208 134231070 /nfs/dbraw/zinc/23/10/70/134231070.db2.gz BDERWNGYUCSGLS-OLZOCXBDSA-N 2 1 226.364 1.243 20 30 BDEDMP C=CCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000338545104 135039317 /nfs/dbraw/zinc/03/93/17/135039317.db2.gz DRAZPNZPHKEOHC-UHFFFAOYSA-N 2 1 226.364 1.341 20 30 BDEDMP C=CCOCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338956409 135048339 /nfs/dbraw/zinc/04/83/39/135048339.db2.gz YWKZMBSSPOOTPD-UHFFFAOYSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CCOCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000339038515 135053323 /nfs/dbraw/zinc/05/33/23/135053323.db2.gz XHRDJBDMAUKWPP-KBPBESRZSA-N 2 1 240.391 1.851 20 30 BDEDMP C=CCOCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000339038515 135053324 /nfs/dbraw/zinc/05/33/24/135053324.db2.gz XHRDJBDMAUKWPP-KBPBESRZSA-N 2 1 240.391 1.851 20 30 BDEDMP [NH2+]=C(NCC[NH+]1CCC1)NC1CCCCCC1 ZINC000261978690 135269140 /nfs/dbraw/zinc/26/91/40/135269140.db2.gz HDDYVUSGLKYXIO-UHFFFAOYSA-N 2 1 238.379 1.319 20 30 BDEDMP C[C@@H](CNC1=[NH+]CCN1C)[N@H+]1CCCC[C@@H]1C ZINC000262634684 135310256 /nfs/dbraw/zinc/31/02/56/135310256.db2.gz GMSHOJZENAQUIZ-RYUDHWBXSA-N 2 1 238.379 1.140 20 30 BDEDMP C[C@@H](CNC1=[NH+]C[C@@H](C)N1)[N@H+]1CCC[C@@H](C)C1 ZINC000262634751 135310302 /nfs/dbraw/zinc/31/03/02/135310302.db2.gz GOSAPTIWTOISLR-UTUOFQBUSA-N 2 1 238.379 1.044 20 30 BDEDMP C[C@H](CNC1=[NH+]C[C@@H](C)N1)[N@H+]1CCC[C@@H](C)C1 ZINC000262634749 135310511 /nfs/dbraw/zinc/31/05/11/135310511.db2.gz GOSAPTIWTOISLR-IJLUTSLNSA-N 2 1 238.379 1.044 20 30 BDEDMP CC(C)[N@H+]1CCC[C@@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000262676685 135312661 /nfs/dbraw/zinc/31/26/61/135312661.db2.gz UFUVNFJDMQQLHO-RYUDHWBXSA-N 2 1 238.379 1.044 20 30 BDEDMP C[C@@H]1C[NH+]=C(NC[C@@H]2[N@@H+](C)CCCC2(C)C)N1 ZINC000262679969 135313400 /nfs/dbraw/zinc/31/34/00/135313400.db2.gz VPZSPSNPDUCUSB-MNOVXSKESA-N 2 1 238.379 1.044 20 30 BDEDMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000334448577 398092065 /nfs/dbraw/zinc/09/20/65/398092065.db2.gz OLQSCZQLOCOUSR-AWEZNQCLSA-N 2 1 229.327 1.729 20 30 BDEDMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000334448577 398092068 /nfs/dbraw/zinc/09/20/68/398092068.db2.gz OLQSCZQLOCOUSR-AWEZNQCLSA-N 2 1 229.327 1.729 20 30 BDEDMP C=CCCC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000659942007 411506418 /nfs/dbraw/zinc/50/64/18/411506418.db2.gz RYYFWGSVZUJQRE-CYBMUJFWSA-N 2 1 228.380 1.586 20 30 BDEDMP C=CCCC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000659942007 411506420 /nfs/dbraw/zinc/50/64/20/411506420.db2.gz RYYFWGSVZUJQRE-CYBMUJFWSA-N 2 1 228.380 1.586 20 30 BDEDMP C=CCCC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000659942007 411506421 /nfs/dbraw/zinc/50/64/21/411506421.db2.gz RYYFWGSVZUJQRE-CYBMUJFWSA-N 2 1 228.380 1.586 20 30 BDEDMP C=CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291887 412082183 /nfs/dbraw/zinc/08/21/83/412082183.db2.gz AKCNNGVLOQHHAK-ZDUSSCGKSA-N 2 1 208.349 1.884 20 30 BDEDMP C=CCOCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000665262925 412206097 /nfs/dbraw/zinc/20/60/97/412206097.db2.gz CBQMEQGQGATORV-VXGBXAGGSA-N 2 1 212.337 1.167 20 30 BDEDMP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000163438252 176173598 /nfs/dbraw/zinc/17/35/98/176173598.db2.gz JWQDYIBLNSPCOA-DOMZBBRYSA-N 2 1 243.354 1.975 20 30 BDEDMP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000094339020 177261522 /nfs/dbraw/zinc/26/15/22/177261522.db2.gz LKONZAXDIDVDQX-FZMZJTMJSA-N 2 1 229.327 1.727 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000094339020 177261524 /nfs/dbraw/zinc/26/15/24/177261524.db2.gz LKONZAXDIDVDQX-FZMZJTMJSA-N 2 1 229.327 1.727 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]CC(C)(C)COC)CC1 ZINC000494057723 526450954 /nfs/dbraw/zinc/45/09/54/526450954.db2.gz DHVJSFINFJTZMV-UHFFFAOYSA-N 2 1 240.391 1.899 20 30 BDEDMP C=CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652361682 487932800 /nfs/dbraw/zinc/93/28/00/487932800.db2.gz MIFSHPYJNVSQIQ-MJBXVCDLSA-N 2 1 238.375 1.923 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000327982677 323000404 /nfs/dbraw/zinc/00/04/04/323000404.db2.gz JGPOZCUTZIRRBT-OLZOCXBDSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000327982677 323000405 /nfs/dbraw/zinc/00/04/05/323000405.db2.gz JGPOZCUTZIRRBT-OLZOCXBDSA-N 2 1 224.348 1.099 20 30 BDEDMP C=CCOCC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000643479588 488064122 /nfs/dbraw/zinc/06/41/22/488064122.db2.gz VJAYKDCPTRZOTD-NEPJUHHUSA-N 2 1 212.337 1.309 20 30 BDEDMP C=C(CC)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000358506974 534383191 /nfs/dbraw/zinc/38/31/91/534383191.db2.gz KBIRRDJWDZPBGP-UHFFFAOYSA-N 2 1 240.391 1.731 20 30 BDEDMP C=C(CC)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000358506974 534383198 /nfs/dbraw/zinc/38/31/98/534383198.db2.gz KBIRRDJWDZPBGP-UHFFFAOYSA-N 2 1 240.391 1.731 20 30 BDEDMP C=CCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367848777 534720003 /nfs/dbraw/zinc/72/00/03/534720003.db2.gz LAVGAOPDMPVLRS-CYBMUJFWSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367848777 534720006 /nfs/dbraw/zinc/72/00/06/534720006.db2.gz LAVGAOPDMPVLRS-CYBMUJFWSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CCCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367848777 534720010 /nfs/dbraw/zinc/72/00/10/534720010.db2.gz LAVGAOPDMPVLRS-CYBMUJFWSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CCC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000358230184 534798677 /nfs/dbraw/zinc/79/86/77/534798677.db2.gz GYZVJVBARXTXOX-ZIAGYGMSSA-N 2 1 238.375 1.387 20 30 BDEDMP C=CCC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000358230184 534798680 /nfs/dbraw/zinc/79/86/80/534798680.db2.gz GYZVJVBARXTXOX-ZIAGYGMSSA-N 2 1 238.375 1.387 20 30 BDEDMP CC[NH+]1CCC([N@H+](C)CCOCCC#N)CC1 ZINC000339010335 535456588 /nfs/dbraw/zinc/45/65/88/535456588.db2.gz LBHQENRIBXUSGU-UHFFFAOYSA-N 2 1 239.363 1.333 20 30 BDEDMP CC[NH+]1CCC([N@@H+](C)CCOCCC#N)CC1 ZINC000339010335 535456594 /nfs/dbraw/zinc/45/65/94/535456594.db2.gz LBHQENRIBXUSGU-UHFFFAOYSA-N 2 1 239.363 1.333 20 30 BDEDMP CC[N@H+]1CCCC[C@H]1C[NH+]=C(N(C)C)N(C)C ZINC000262534348 535502926 /nfs/dbraw/zinc/50/29/26/535502926.db2.gz PCOYJCIZNJMBLG-LBPRGKRZSA-N 2 1 240.395 1.340 20 30 BDEDMP C[C@@H](CNC(=[NH2+])Nc1ccccc1)[N@@H+](C)C1CC1 ZINC000103338702 582787161 /nfs/dbraw/zinc/78/71/61/582787161.db2.gz XAMLNBZUHPTPRV-NSHDSACASA-N 2 1 246.358 1.896 20 30 BDEDMP CCCNC(=[NH2+])NCC[N@@H+](C)[C@H](C)CC ZINC000104191478 583162975 /nfs/dbraw/zinc/16/29/75/583162975.db2.gz IEIHLPCFMHBSAP-SNVBAGLBSA-N 2 1 214.357 1.031 20 30 BDEDMP C#CC[N@@H+](Cc1c(C)ccnc1N)C1CC1 ZINC000894468888 583467983 /nfs/dbraw/zinc/46/79/83/583467983.db2.gz ACPGMUGXVKYPNF-UHFFFAOYSA-N 2 1 215.300 1.570 20 30 BDEDMP C#CC[N@H+](Cc1c(C)ccnc1N)C1CC1 ZINC000894468888 583467985 /nfs/dbraw/zinc/46/79/85/583467985.db2.gz ACPGMUGXVKYPNF-UHFFFAOYSA-N 2 1 215.300 1.570 20 30 BDEDMP C#CC[NH+]1CCC(Nc2cc(C)[nH+]c(C)n2)CC1 ZINC000895804118 583731746 /nfs/dbraw/zinc/73/17/46/583731746.db2.gz NSMXWIIPYBOVEK-UHFFFAOYSA-N 2 1 244.342 1.603 20 30 BDEDMP C=CCCC[C@@H]([NH3+])c1nc(C[C@H](C)[NH2+]C)no1 ZINC000900010118 584265287 /nfs/dbraw/zinc/26/52/87/584265287.db2.gz NQMWFCHOWOCXCS-VHSXEESVSA-N 2 1 238.335 1.576 20 30 BDEDMP C[NH2+]C[C@H]1CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903422678 584764352 /nfs/dbraw/zinc/76/43/52/584764352.db2.gz JCASFHLPNMGMNU-JXQTWKCFSA-N 2 1 235.375 1.858 20 30 BDEDMP C[C@]1(C#N)CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903464573 584771568 /nfs/dbraw/zinc/77/15/68/584771568.db2.gz RZDXDYVXCRSNJW-GRYCIOLGSA-N 2 1 207.321 1.349 20 30 BDEDMP C=CC[N@@H+](C[C@@H]1CCCC[NH2+]C1)[C@H](C)COC ZINC000903766951 584797493 /nfs/dbraw/zinc/79/74/93/584797493.db2.gz DINSAOQWMFIWCJ-ZIAGYGMSSA-N 2 1 240.391 1.899 20 30 BDEDMP C=CC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903757717 584798445 /nfs/dbraw/zinc/79/84/45/584798445.db2.gz GIKBWEKOWZHBEI-KBPBESRZSA-N 2 1 236.359 1.405 20 30 BDEDMP N#C[C@H]1CC[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)F)C1 ZINC000903930288 584824636 /nfs/dbraw/zinc/82/46/36/584824636.db2.gz WLHLYFWHFLMTQL-XHNCKOQMSA-N 2 1 217.263 1.251 20 30 BDEDMP C[C@H]1CC(=NNCC[NH+]2CCCCC2)C[N@@H+]1C ZINC000761806333 585418967 /nfs/dbraw/zinc/41/89/67/585418967.db2.gz YMRJXQLRGKLQBD-LBPRGKRZSA-N 2 1 238.379 1.142 20 30 BDEDMP C[C@H]1CC(=NNCC[NH+]2CCCCC2)C[N@H+]1C ZINC000761806333 585418968 /nfs/dbraw/zinc/41/89/68/585418968.db2.gz YMRJXQLRGKLQBD-LBPRGKRZSA-N 2 1 238.379 1.142 20 30 BDEDMP C#CC[NH+](C)CCCCCC[N@H+](C)CC#C ZINC000792297905 585999435 /nfs/dbraw/zinc/99/94/35/585999435.db2.gz AOAFEDGNSCJVSO-UHFFFAOYSA-N 2 1 220.360 1.677 20 30 BDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815144174 586669711 /nfs/dbraw/zinc/66/97/11/586669711.db2.gz AYLYABZQCNHFPS-ZDUSSCGKSA-N 2 1 206.333 1.427 20 30 BDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815144174 586669712 /nfs/dbraw/zinc/66/97/12/586669712.db2.gz AYLYABZQCNHFPS-ZDUSSCGKSA-N 2 1 206.333 1.427 20 30 BDEDMP C#CCOc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000817966741 586855480 /nfs/dbraw/zinc/85/54/80/586855480.db2.gz UYKUHQXHIQIPOR-NEPJUHHUSA-N 2 1 232.327 1.696 20 30 BDEDMP C[NH+]=C(NCC[C@@H]1CCC[N@@H+](C)C1)NC1CC1 ZINC000849041048 588447839 /nfs/dbraw/zinc/44/78/39/588447839.db2.gz IQKBMLYJYMDVKN-NSHDSACASA-N 2 1 238.379 1.046 20 30 BDEDMP CCNC(NCC[C@@H]1CCC[N@@H+](C)C1)=[NH+]CC ZINC000849040915 588448003 /nfs/dbraw/zinc/44/80/03/588448003.db2.gz GDDUVRAFWXWJBO-LBPRGKRZSA-N 2 1 240.395 1.293 20 30 BDEDMP C=CCNC(=[NH2+])NCC[C@H]1CCC[N@H+](C)C1 ZINC000849041677 588448195 /nfs/dbraw/zinc/44/81/95/588448195.db2.gz VHPIQJDFPUZPIA-LLVKDONJSA-N 2 1 224.352 1.018 20 30 BDEDMP C#CCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852760706 588700951 /nfs/dbraw/zinc/70/09/51/588700951.db2.gz LZCGKVTWERDKJL-CYBMUJFWSA-N 2 1 224.348 1.052 20 30 BDEDMP C#CCCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876818862 590246126 /nfs/dbraw/zinc/24/61/26/590246126.db2.gz ZKVJAQXZLFKKPM-OKILXGFUSA-N 2 1 220.360 1.721 20 30 BDEDMP C#CC[C@H](CCOC)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000877661083 590387051 /nfs/dbraw/zinc/38/70/51/590387051.db2.gz XAXSGMDDMSBVMN-MGPQQGTHSA-N 2 1 238.375 1.487 20 30 BDEDMP C#CC[C@H](CCOC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000877661083 590387053 /nfs/dbraw/zinc/38/70/53/590387053.db2.gz XAXSGMDDMSBVMN-MGPQQGTHSA-N 2 1 238.375 1.487 20 30 BDEDMP CCC#C[C@H](C)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879577285 590813848 /nfs/dbraw/zinc/81/38/48/590813848.db2.gz HZTIXUZCBQKWKQ-MJBXVCDLSA-N 2 1 220.360 1.814 20 30 BDEDMP CCC#C[C@H](C)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879577285 590813852 /nfs/dbraw/zinc/81/38/52/590813852.db2.gz HZTIXUZCBQKWKQ-MJBXVCDLSA-N 2 1 220.360 1.814 20 30 BDEDMP CCC#C[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879577285 590813855 /nfs/dbraw/zinc/81/38/55/590813855.db2.gz HZTIXUZCBQKWKQ-MJBXVCDLSA-N 2 1 220.360 1.814 20 30 BDEDMP CCC#C[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879577285 590813858 /nfs/dbraw/zinc/81/38/58/590813858.db2.gz HZTIXUZCBQKWKQ-MJBXVCDLSA-N 2 1 220.360 1.814 20 30 BDEDMP C=C(CC)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579818 590816437 /nfs/dbraw/zinc/81/64/37/590816437.db2.gz BULDRENVJFZGPU-QWHCGFSZSA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(CC)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579818 590816440 /nfs/dbraw/zinc/81/64/40/590816440.db2.gz BULDRENVJFZGPU-QWHCGFSZSA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(CC)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579818 590816444 /nfs/dbraw/zinc/81/64/44/590816444.db2.gz BULDRENVJFZGPU-QWHCGFSZSA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(CC)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579818 590816446 /nfs/dbraw/zinc/81/64/46/590816446.db2.gz BULDRENVJFZGPU-QWHCGFSZSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CC[C@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000883433975 591664301 /nfs/dbraw/zinc/66/43/01/591664301.db2.gz DDWWXHVJNKHVTG-WCFLWFBJSA-N 2 1 234.347 1.111 20 30 BDEDMP C=CC[C@H](C)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000883433975 591664303 /nfs/dbraw/zinc/66/43/03/591664303.db2.gz DDWWXHVJNKHVTG-WCFLWFBJSA-N 2 1 234.347 1.111 20 30 BDEDMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1C#N ZINC000925841448 635506058 /nfs/dbraw/zinc/50/60/58/635506058.db2.gz REASMAQFPNIZBE-UONOGXRCSA-N 2 1 229.327 1.836 20 30 BDEDMP C#C[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1C ZINC000934514026 631897325 /nfs/dbraw/zinc/89/73/25/631897325.db2.gz FBMQLEWDICCPBS-CYBMUJFWSA-N 2 1 217.316 1.679 20 30 BDEDMP C#C[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1C ZINC000934514026 631897326 /nfs/dbraw/zinc/89/73/26/631897326.db2.gz FBMQLEWDICCPBS-CYBMUJFWSA-N 2 1 217.316 1.679 20 30 BDEDMP CNC(NCC[N@@H+](C)C1CCCCC1)=[NH+]C ZINC000161549178 632078237 /nfs/dbraw/zinc/07/82/37/632078237.db2.gz XJTIOIBPTFQEIQ-UHFFFAOYSA-N 2 1 226.368 1.046 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]CC1(COC)CCC1 ZINC000328192976 633743773 /nfs/dbraw/zinc/74/37/73/633743773.db2.gz QPOGFMIGEIOFDT-UHFFFAOYSA-N 2 1 238.375 1.348 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]CC1(COC)CCC1 ZINC000328192976 633743782 /nfs/dbraw/zinc/74/37/82/633743782.db2.gz QPOGFMIGEIOFDT-UHFFFAOYSA-N 2 1 238.375 1.348 20 30 BDEDMP C=C(C)COCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328503411 633772830 /nfs/dbraw/zinc/77/28/30/633772830.db2.gz WIDIIGPYKARYOS-QSLWVIQJSA-N 2 1 236.359 1.165 20 30 BDEDMP C=C(C)COCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328503413 633774392 /nfs/dbraw/zinc/77/43/92/633774392.db2.gz WIDIIGPYKARYOS-YHQUGGNUSA-N 2 1 236.359 1.165 20 30 BDEDMP CC[NH+]=C(NC[C@H](C)[NH+](C)C)NC(C)(C)C ZINC000912499164 640095964 /nfs/dbraw/zinc/09/59/64/640095964.db2.gz MWFMUYGELQUKEP-JTQLQIEISA-N 2 1 228.384 1.290 20 30 BDEDMP C=CCOCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931439700 640207545 /nfs/dbraw/zinc/20/75/45/640207545.db2.gz XWDVRXLUUSQCLC-OLZOCXBDSA-N 2 1 224.348 1.073 20 30 BDEDMP C=CCOCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931439700 640207551 /nfs/dbraw/zinc/20/75/51/640207551.db2.gz XWDVRXLUUSQCLC-OLZOCXBDSA-N 2 1 224.348 1.073 20 30 BDEDMP C=CCOCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931439700 640207556 /nfs/dbraw/zinc/20/75/56/640207556.db2.gz XWDVRXLUUSQCLC-OLZOCXBDSA-N 2 1 224.348 1.073 20 30 BDEDMP C=CC[C@@H](C)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515712 640244646 /nfs/dbraw/zinc/24/46/46/640244646.db2.gz BIBAPLUJVFBUHT-SNVBAGLBSA-N 2 1 217.316 1.987 20 30 BDEDMP C=CC[C@@H](C)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515712 640244651 /nfs/dbraw/zinc/24/46/51/640244651.db2.gz BIBAPLUJVFBUHT-SNVBAGLBSA-N 2 1 217.316 1.987 20 30 BDEDMP C=CCCC[N@@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000934645031 641228816 /nfs/dbraw/zinc/22/88/16/641228816.db2.gz MEDPCDLHGVHPEL-CQSZACIVSA-N 2 1 240.391 1.730 20 30 BDEDMP C=CCCC[N@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000934645031 641228821 /nfs/dbraw/zinc/22/88/21/641228821.db2.gz MEDPCDLHGVHPEL-CQSZACIVSA-N 2 1 240.391 1.730 20 30 BDEDMP C=CCCC[NH+](CC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000934645031 641228824 /nfs/dbraw/zinc/22/88/24/641228824.db2.gz MEDPCDLHGVHPEL-CQSZACIVSA-N 2 1 240.391 1.730 20 30 BDEDMP C=CCCC[NH+](CC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000934645031 641228832 /nfs/dbraw/zinc/22/88/32/641228832.db2.gz MEDPCDLHGVHPEL-CQSZACIVSA-N 2 1 240.391 1.730 20 30 BDEDMP C#CCC1([NH2+]C[C@H](O)C[N@H+](C)C(C)C)CCC1 ZINC000933296785 642506684 /nfs/dbraw/zinc/50/66/84/642506684.db2.gz OCUSXGFGFNUHCM-ZDUSSCGKSA-N 2 1 238.375 1.223 20 30 BDEDMP C#CCC1([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)CCC1 ZINC000933296784 642507627 /nfs/dbraw/zinc/50/76/27/642507627.db2.gz OCUSXGFGFNUHCM-CYBMUJFWSA-N 2 1 238.375 1.223 20 30 BDEDMP CCCNC(=[NH2+])NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000305035239 642631805 /nfs/dbraw/zinc/63/18/05/642631805.db2.gz SGGGFTQJFBXMDE-GFCCVEGCSA-N 2 1 240.395 1.279 20 30 BDEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC000305801262 642700308 /nfs/dbraw/zinc/70/03/08/642700308.db2.gz DJUCAWLAOSYMAC-LLVKDONJSA-N 2 1 238.379 1.127 20 30 BDEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])N(C)C1CC1 ZINC000305829607 642704318 /nfs/dbraw/zinc/70/43/18/642704318.db2.gz STNZPBHRDYOVNX-GFCCVEGCSA-N 2 1 238.379 1.270 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000923334026 644354746 /nfs/dbraw/zinc/35/47/46/644354746.db2.gz GMADXTLXQQPCML-QWHCGFSZSA-N 2 1 226.364 1.387 20 30 BDEDMP CC[NH+]=C(NC[C@H]1CCC[N@H+]1C)NC(C)(C)C ZINC000303464213 644827045 /nfs/dbraw/zinc/82/70/45/644827045.db2.gz CLUZMKMMAMTFOL-LLVKDONJSA-N 2 1 240.395 1.434 20 30 BDEDMP CCN(CC)C(=[NH2+])NCC[N@H+]1CCCC[C@@H]1C ZINC000303874142 644851708 /nfs/dbraw/zinc/85/17/08/644851708.db2.gz CURKNOXKHFTATN-LBPRGKRZSA-N 2 1 240.395 1.517 20 30 BDEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])N(CC)CC ZINC000303979241 644862420 /nfs/dbraw/zinc/86/24/20/644862420.db2.gz MYUVUOCYDZMZTQ-NSHDSACASA-N 2 1 228.384 1.373 20 30 BDEDMP CCNC(NC[C@H]1CCCC[N@H+]1CC)=[NH+]CC ZINC000304062512 644868982 /nfs/dbraw/zinc/86/89/82/644868982.db2.gz QRAGQZWBOPAUAR-GFCCVEGCSA-N 2 1 240.395 1.436 20 30 BDEDMP CCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 ZINC000304756870 644931162 /nfs/dbraw/zinc/93/11/62/644931162.db2.gz ODJCVORYWCMPCZ-LLVKDONJSA-N 2 1 226.368 1.033 20 30 BDEDMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000926514111 645246109 /nfs/dbraw/zinc/24/61/09/645246109.db2.gz URVZGXLQQYJAJB-OFBDQPAMSA-N 2 1 247.386 1.999 20 30 BDEDMP C#C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000300848636 645898497 /nfs/dbraw/zinc/89/84/97/645898497.db2.gz DYWRAAGNZAJBSG-MJBXVCDLSA-N 2 1 220.360 1.861 20 30 BDEDMP C#C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000300848638 645898518 /nfs/dbraw/zinc/89/85/18/645898518.db2.gz DYWRAAGNZAJBSG-RDBSUJKOSA-N 2 1 220.360 1.861 20 30 BDEDMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000925815255 646491580 /nfs/dbraw/zinc/49/15/80/646491580.db2.gz VAQXGRFPAQGQAU-ZJUUUORDSA-N 2 1 235.306 1.913 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000926490854 646660280 /nfs/dbraw/zinc/66/02/80/646660280.db2.gz RJNVKCCOQKVKFK-GFCCVEGCSA-N 2 1 247.342 1.393 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000926490854 646660283 /nfs/dbraw/zinc/66/02/83/646660283.db2.gz RJNVKCCOQKVKFK-GFCCVEGCSA-N 2 1 247.342 1.393 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccncc1 ZINC000392808959 711151977 /nfs/dbraw/zinc/15/19/77/711151977.db2.gz KQKXEATVYAEXED-UHFFFAOYSA-N 2 1 217.316 1.126 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccncc1 ZINC000392808959 711151981 /nfs/dbraw/zinc/15/19/81/711151981.db2.gz KQKXEATVYAEXED-UHFFFAOYSA-N 2 1 217.316 1.126 20 30 BDEDMP C=CCCOCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000383065183 710923906 /nfs/dbraw/zinc/92/39/06/710923906.db2.gz OOCCHSCCDWGFOE-QSLWVIQJSA-N 2 1 236.359 1.165 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CC[NH3+] ZINC000723899762 711545239 /nfs/dbraw/zinc/54/52/39/711545239.db2.gz FSNQRGLRAWYUFD-TZMCWYRMSA-N 2 1 243.354 1.975 20 30 BDEDMP C#CC[N@@H+](CC1CC[NH+](C)CC1)C(C)C ZINC000897170644 711784735 /nfs/dbraw/zinc/78/47/35/711784735.db2.gz DNJYEOFYNCVFQW-UHFFFAOYSA-N 2 1 208.349 1.672 20 30 BDEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCCCCC2)C1 ZINC000305049292 711785729 /nfs/dbraw/zinc/78/57/29/711785729.db2.gz GNLBONAUILGQIR-LBPRGKRZSA-N 2 1 238.379 1.129 20 30 BDEDMP C#CCCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000705105414 712122525 /nfs/dbraw/zinc/12/25/25/712122525.db2.gz CPFYTQQNNFOQGI-ZDUSSCGKSA-N 2 1 208.349 1.673 20 30 BDEDMP C#CCCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000705105414 712122527 /nfs/dbraw/zinc/12/25/27/712122527.db2.gz CPFYTQQNNFOQGI-ZDUSSCGKSA-N 2 1 208.349 1.673 20 30 BDEDMP C#CCCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000705105414 712122529 /nfs/dbraw/zinc/12/25/29/712122529.db2.gz CPFYTQQNNFOQGI-ZDUSSCGKSA-N 2 1 208.349 1.673 20 30 BDEDMP C=CC[N@H+](CCOC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699212135 965816143 /nfs/dbraw/zinc/81/61/43/965816143.db2.gz SZNZTOCFRJJLRY-AGUYFDCRSA-N 2 1 238.375 1.651 20 30 BDEDMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@H](C#N)C2)CC1 ZINC001208111041 969008404 /nfs/dbraw/zinc/00/84/04/969008404.db2.gz AUCCWJYLXLRAIZ-LBPRGKRZSA-N 2 1 221.348 1.564 20 30 BDEDMP C#C[C@](C)(CC)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254505821 969676747 /nfs/dbraw/zinc/67/67/47/969676747.db2.gz JPRQNYAJUPPOIG-QWHCGFSZSA-N 2 1 208.349 1.862 20 30 BDEDMP C#C[C@@H]1CCC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254526618 969719557 /nfs/dbraw/zinc/71/95/57/969719557.db2.gz RYABGCDAYLVLON-KGLIPLIRSA-N 2 1 220.360 1.816 20 30 BDEDMP C#CC1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254529803 969734169 /nfs/dbraw/zinc/73/41/69/969734169.db2.gz QVPVRQFKLXNYJL-CQSZACIVSA-N 2 1 220.360 1.816 20 30 BDEDMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CC[C@H](C#N)C1 ZINC001254676850 969784480 /nfs/dbraw/zinc/78/44/80/969784480.db2.gz OJTNEVQKVBGESK-STQMWFEESA-N 2 1 223.364 1.952 20 30 BDEDMP C=CCO[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC001342228571 979720480 /nfs/dbraw/zinc/72/04/80/979720480.db2.gz KTRQEFYGLDHPEV-ZIAGYGMSSA-N 2 1 238.375 1.748 20 30 BDEDMP C=CCO[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC001342228571 979720490 /nfs/dbraw/zinc/72/04/90/979720490.db2.gz KTRQEFYGLDHPEV-ZIAGYGMSSA-N 2 1 238.375 1.748 20 30 BDEDMP C=CCO[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC001342228571 979720495 /nfs/dbraw/zinc/72/04/95/979720495.db2.gz KTRQEFYGLDHPEV-ZIAGYGMSSA-N 2 1 238.375 1.748 20 30 BDEDMP C[C@H](CCCC#N)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246544674 972605935 /nfs/dbraw/zinc/60/59/35/972605935.db2.gz YARMCGRXFXSUSR-QJPTWQEYSA-N 2 1 209.337 1.595 20 30 BDEDMP C[C@@H]1C[N@H+](CCCc2ccc(C#N)cc2)C[C@H]1[NH3+] ZINC001206052918 970806232 /nfs/dbraw/zinc/80/62/32/970806232.db2.gz AAKOAUMLZSJDJO-IUODEOHRSA-N 2 1 243.354 1.770 20 30 BDEDMP C[C@@H]1C[N@@H+](CCCc2ccc(C#N)cc2)C[C@H]1[NH3+] ZINC001206052918 970806238 /nfs/dbraw/zinc/80/62/38/970806238.db2.gz AAKOAUMLZSJDJO-IUODEOHRSA-N 2 1 243.354 1.770 20 30 BDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405430183 971252233 /nfs/dbraw/zinc/25/22/33/971252233.db2.gz RXGAYWXYZIOGGW-IUCAKERBSA-N 2 1 200.713 1.598 20 30 BDEDMP C=C[C@](C)(O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246026646 972120404 /nfs/dbraw/zinc/12/04/04/972120404.db2.gz WPGCNMQCZGZYBP-AVGNSLFASA-N 2 1 226.364 1.230 20 30 BDEDMP C=CCO[C@@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC001345160369 957164404 /nfs/dbraw/zinc/16/44/04/957164404.db2.gz UYDASNOVJFUZPI-KGLIPLIRSA-N 2 1 238.375 1.653 20 30 BDEDMP C=CCn1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cn1 ZINC001139772369 961499382 /nfs/dbraw/zinc/49/93/82/961499382.db2.gz GZJJERJZEVZYTB-OKILXGFUSA-N 2 1 246.358 1.063 20 30 BDEDMP Cc1[nH+]c(N(C)C2CC[NH2+]CC2)ccc1CC#N ZINC001156180395 963277301 /nfs/dbraw/zinc/27/73/01/963277301.db2.gz GSAOOFSQFQMVDR-UHFFFAOYSA-N 2 1 244.342 1.644 20 30 BDEDMP C[C@@H]([NH3+])CCNc1[nH+]ccc2[nH]cc(C#N)c21 ZINC001159779251 964190266 /nfs/dbraw/zinc/19/02/66/964190266.db2.gz ZEUDRQDCIPAQGC-MRVPVSSYSA-N 2 1 229.287 1.584 20 30 BDEDMP C=CCC[C@@H](C)[NH2+]C[C@@H](C[NH+](C)C)OCC ZINC000926958890 964524436 /nfs/dbraw/zinc/52/44/36/964524436.db2.gz IDQSJQLWTWULIY-OLZOCXBDSA-N 2 1 228.380 1.897 20 30 BDEDMP CC1(C[NH3+])C[NH+](CCc2ccc(C#N)cc2)C1 ZINC001206711300 966197481 /nfs/dbraw/zinc/19/74/81/966197481.db2.gz IKXJFXRMXRWUOT-UHFFFAOYSA-N 2 1 229.327 1.381 20 30 BDEDMP C[NH+]1CCC(C[N@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000694587369 967888169 /nfs/dbraw/zinc/88/81/69/967888169.db2.gz FKXQLQDNIZJPDS-CYBMUJFWSA-N 2 1 221.348 1.564 20 30 BDEDMP C=CCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205945638 967898003 /nfs/dbraw/zinc/89/80/03/967898003.db2.gz AGJVNICKIIUOAZ-VXGBXAGGSA-N 2 1 212.337 1.127 20 30 BDEDMP C#CCCC[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205984613 967937361 /nfs/dbraw/zinc/93/73/61/967937361.db2.gz SNZLTWXLRQFZEV-OLZOCXBDSA-N 2 1 208.349 1.707 20 30 BDEDMP C#Cc1cccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206188227 968113635 /nfs/dbraw/zinc/11/36/35/968113635.db2.gz UVNYQLRJHINVBW-CABCVRRESA-N 2 1 246.329 1.929 20 30 BDEDMP CCCCCCC[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206507062 968345774 /nfs/dbraw/zinc/34/57/74/968345774.db2.gz YYSNKXMIKCHCBX-RYUDHWBXSA-N 2 1 214.353 1.208 20 30 BDEDMP C[NH+]1CCC(CC[N@H+]2CC[C@](C)(C#N)C2)CC1 ZINC001207488061 968803554 /nfs/dbraw/zinc/80/35/54/968803554.db2.gz DSFZOSLIWWHXJJ-CQSZACIVSA-N 2 1 235.375 1.954 20 30 BDEDMP C=CCCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001209163192 969366496 /nfs/dbraw/zinc/36/64/96/969366496.db2.gz VUVQNYPAAAKIJL-UHFFFAOYSA-N 2 1 205.305 1.707 20 30 BDEDMP C=CCCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001209163192 969366502 /nfs/dbraw/zinc/36/65/02/969366502.db2.gz VUVQNYPAAAKIJL-UHFFFAOYSA-N 2 1 205.305 1.707 20 30 BDEDMP C#C[C@@](C)(CC)[NH2+]C1CC[NH+](CC)CC1 ZINC001169230274 969504357 /nfs/dbraw/zinc/50/43/57/969504357.db2.gz VKGMOARYBVMRBL-ZDUSSCGKSA-N 2 1 208.349 1.862 20 30 BDEDMP C#C[C@@](C)(CC)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254505820 969672184 /nfs/dbraw/zinc/67/21/84/969672184.db2.gz JPRQNYAJUPPOIG-OLZOCXBDSA-N 2 1 208.349 1.862 20 30 BDEDMP C#C[C@@H]1CCC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254526618 969719537 /nfs/dbraw/zinc/71/95/37/969719537.db2.gz RYABGCDAYLVLON-KGLIPLIRSA-N 2 1 220.360 1.816 20 30 BDEDMP C#C[C@@H]1CCC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254526618 969719549 /nfs/dbraw/zinc/71/95/49/969719549.db2.gz RYABGCDAYLVLON-KGLIPLIRSA-N 2 1 220.360 1.816 20 30 BDEDMP C[C@H](CCCC#N)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246544661 972608345 /nfs/dbraw/zinc/60/83/45/972608345.db2.gz XZPICDCYTSMRSR-VXGBXAGGSA-N 2 1 209.337 1.882 20 30 BDEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C(C)(C)C[NH3+] ZINC001172289849 974556541 /nfs/dbraw/zinc/55/65/41/974556541.db2.gz JAXIHJGWMFPAGI-LLVKDONJSA-N 2 1 231.343 1.816 20 30 BDEDMP C[C@@H](CCCC#N)[NH2+]C1CC[NH+](CCO)CC1 ZINC001172483048 974787173 /nfs/dbraw/zinc/78/71/73/974787173.db2.gz MLXKAXOJCWRZKO-LBPRGKRZSA-N 2 1 239.363 1.115 20 30 BDEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001172491603 974837855 /nfs/dbraw/zinc/83/78/55/974837855.db2.gz OFAJQYALYBBWDE-YNEHKIRRSA-N 2 1 223.364 1.999 20 30 BDEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001172491603 974837860 /nfs/dbraw/zinc/83/78/60/974837860.db2.gz OFAJQYALYBBWDE-YNEHKIRRSA-N 2 1 223.364 1.999 20 30 BDEDMP N#CCC1CCC([N@H+]2CC[C@H](N)C2)CC1 ZINC001173326046 975275237 /nfs/dbraw/zinc/27/52/37/975275237.db2.gz RDOPSLAFEXRMFD-CXQJBGSLSA-N 2 1 207.321 1.492 20 30 BDEDMP N#CCC1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001173326046 975275254 /nfs/dbraw/zinc/27/52/54/975275254.db2.gz RDOPSLAFEXRMFD-CXQJBGSLSA-N 2 1 207.321 1.492 20 30 BDEDMP CCCCCCC[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235051894 978963469 /nfs/dbraw/zinc/96/34/69/978963469.db2.gz BQXMNLFYZPWOCO-CQSZACIVSA-N 2 1 239.407 1.594 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001252602308 983842805 /nfs/dbraw/zinc/84/28/05/983842805.db2.gz OVTHXHSUBPCBMM-MGPQQGTHSA-N 2 1 238.375 1.197 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]CC1(C(C)C)CC1 ZINC000687532613 985306845 /nfs/dbraw/zinc/30/68/45/985306845.db2.gz UDNOCCZEAGFIPU-UHFFFAOYSA-N 2 1 222.376 1.967 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]CC1(C(C)C)CC1 ZINC000687532613 985306858 /nfs/dbraw/zinc/30/68/58/985306858.db2.gz UDNOCCZEAGFIPU-UHFFFAOYSA-N 2 1 222.376 1.967 20 30 BDEDMP N#Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)cs1 ZINC001580060008 986501787 /nfs/dbraw/zinc/50/17/87/986501787.db2.gz PHNVOMKVWGGTHE-DTORHVGOSA-N 2 1 207.302 1.199 20 30 BDEDMP N#Cc1ccc(C[NH2+]C[C@]23C[C@H]2C[NH2+]C3)s1 ZINC001580065168 986510789 /nfs/dbraw/zinc/51/07/89/986510789.db2.gz AEHGLRQMSAFBKU-JOYOIKCWSA-N 2 1 233.340 1.319 20 30 BDEDMP C=C[C@](C)(O)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246017901 987303392 /nfs/dbraw/zinc/30/33/92/987303392.db2.gz CQMDQMVGABJSCJ-NEPJUHHUSA-N 2 1 212.337 1.127 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246018865 987305523 /nfs/dbraw/zinc/30/55/23/987305523.db2.gz CBSANNOVRZTXQW-CHWSQXEVSA-N 2 1 244.354 1.466 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246018865 987305533 /nfs/dbraw/zinc/30/55/33/987305533.db2.gz CBSANNOVRZTXQW-CHWSQXEVSA-N 2 1 244.354 1.466 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246019743 987309013 /nfs/dbraw/zinc/30/90/13/987309013.db2.gz JSEDGZWHFCRQGV-STQMWFEESA-N 2 1 226.364 1.517 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246024053 987320464 /nfs/dbraw/zinc/32/04/64/987320464.db2.gz PVUCJKALMBJMCW-UPJWGTAASA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246024053 987320473 /nfs/dbraw/zinc/32/04/73/987320473.db2.gz PVUCJKALMBJMCW-UPJWGTAASA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246034427 987336423 /nfs/dbraw/zinc/33/64/23/987336423.db2.gz NMIDSWHORKIUFK-OLZOCXBDSA-N 2 1 226.364 1.374 20 30 BDEDMP N#Cc1ccc(C[NH2+]C2CC[NH2+]CC2)s1 ZINC001246282402 987674720 /nfs/dbraw/zinc/67/47/20/987674720.db2.gz SHKYWRXOJSPBHJ-UHFFFAOYSA-N 2 1 221.329 1.461 20 30 BDEDMP C=C1C[C@@H]2CC([NH2+]C[C@@H]3C[NH2+]CCN3)C[C@H](C1)C2 ZINC001246493345 987846436 /nfs/dbraw/zinc/84/64/36/987846436.db2.gz YULSMGBWAVADMS-IXXDHKBRSA-N 2 1 249.402 1.272 20 30 BDEDMP C[C@H]1C[N@H+](C2CCC(CC#N)CC2)C[C@H]1C[NH3+] ZINC001246540569 987904981 /nfs/dbraw/zinc/90/49/81/987904981.db2.gz BNQYPCBYKIOUQV-RJZJGCCBSA-N 2 1 235.375 1.985 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)C1 ZINC001246558465 987977283 /nfs/dbraw/zinc/97/72/83/987977283.db2.gz LBOJPUFCJBUUBS-VWYCJHECSA-N 2 1 243.301 1.595 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)C1 ZINC001246558465 987977289 /nfs/dbraw/zinc/97/72/89/987977289.db2.gz LBOJPUFCJBUUBS-VWYCJHECSA-N 2 1 243.301 1.595 20 30 BDEDMP C=CCC[C@H](C)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246565621 988021040 /nfs/dbraw/zinc/02/10/40/988021040.db2.gz ZCYCLBRYZZFRFV-STQMWFEESA-N 2 1 226.364 1.517 20 30 BDEDMP C[C@@H]1C[N@H+](C2CCC(C)(C#N)CC2)C[C@H]1[NH3+] ZINC001246565340 988021674 /nfs/dbraw/zinc/02/16/74/988021674.db2.gz CCEOZCHTPGKZPK-CQLXCSJHSA-N 2 1 221.348 1.738 20 30 BDEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CC(C)(C[NH3+])C1 ZINC001246586986 988149020 /nfs/dbraw/zinc/14/90/20/988149020.db2.gz CYUUMWUHKGPREH-LBPRGKRZSA-N 2 1 243.354 1.770 20 30 BDEDMP C#C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246837926 988537972 /nfs/dbraw/zinc/53/79/72/988537972.db2.gz WZDDCYFFXDDOEU-YNEHKIRRSA-N 2 1 206.333 1.472 20 30 BDEDMP C[C@H](CCCC#N)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246855145 988579975 /nfs/dbraw/zinc/57/99/75/988579975.db2.gz SXVROLCPRLUIPN-GRYCIOLGSA-N 2 1 207.321 1.492 20 30 BDEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246917636 988714211 /nfs/dbraw/zinc/71/42/11/988714211.db2.gz RRIZAULSIPAMFI-SWLSCSKDSA-N 2 1 243.354 1.912 20 30 BDEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246917636 988714226 /nfs/dbraw/zinc/71/42/26/988714226.db2.gz RRIZAULSIPAMFI-SWLSCSKDSA-N 2 1 243.354 1.912 20 30 BDEDMP CC[C@@H](CC#N)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246935677 988769423 /nfs/dbraw/zinc/76/94/23/988769423.db2.gz WDLNUGRIFJUJHC-XQQFMLRXSA-N 2 1 221.348 1.610 20 30 BDEDMP C#CC[N@@H+](CCCC1CC[NH2+]CC1)C1CC1 ZINC001574666945 992889491 /nfs/dbraw/zinc/88/94/91/992889491.db2.gz KMXUXHGTZSCUQY-UHFFFAOYSA-N 2 1 220.360 1.864 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC001574961121 992950277 /nfs/dbraw/zinc/95/02/77/992950277.db2.gz XWGHZUQKEPEEJR-LPWJVIDDSA-N 2 1 224.348 1.450 20 30 BDEDMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001576120359 993186943 /nfs/dbraw/zinc/18/69/43/993186943.db2.gz SWIUONSOOTTWCV-JQWIXIFHSA-N 2 1 230.315 1.122 20 30 BDEDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001576120359 993186945 /nfs/dbraw/zinc/18/69/45/993186945.db2.gz SWIUONSOOTTWCV-JQWIXIFHSA-N 2 1 230.315 1.122 20 30 BDEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000051691809 136209846 /nfs/dbraw/zinc/20/98/46/136209846.db2.gz XSBMWSGIHFLEIP-GFCCVEGCSA-N 2 1 246.358 1.755 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378790813 346833951 /nfs/dbraw/zinc/83/39/51/346833951.db2.gz QLULROGFFGNBJW-BFHYXJOUSA-N 2 1 220.360 1.720 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378790813 346833954 /nfs/dbraw/zinc/83/39/54/346833954.db2.gz QLULROGFFGNBJW-BFHYXJOUSA-N 2 1 220.360 1.720 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(C#N)c1 ZINC000049330211 187233031 /nfs/dbraw/zinc/23/30/31/187233031.db2.gz MEXSVQLREGASID-UHFFFAOYSA-N 2 1 240.310 1.853 20 30 BDEDMP C[NH+]1CCC2(CC[N@@H+](CCC#N)C2)CC1 ZINC000602877048 349807071 /nfs/dbraw/zinc/80/70/71/349807071.db2.gz KYZKJIHJMLGDGU-UHFFFAOYSA-N 2 1 207.321 1.318 20 30 BDEDMP CC(C)[N@H+]1CC[C@@H](CNCc2ccc(C#N)o2)C1 ZINC000135166677 344322578 /nfs/dbraw/zinc/32/25/78/344322578.db2.gz DZTQSKGTFOZEKI-LBPRGKRZSA-N 2 1 247.342 1.971 20 30 BDEDMP C[C@@H]1C[C@H](NC[C@H](C#N)CCC#N)CC[N@H+]1C ZINC000583376648 344852402 /nfs/dbraw/zinc/85/24/02/344852402.db2.gz YQHNLSOJJRTIIG-FRRDWIJNSA-N 2 1 234.347 1.502 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](C)COC)CC1 ZINC000187823735 346620423 /nfs/dbraw/zinc/62/04/23/346620423.db2.gz IWZQGYCPNBEZGA-ZDUSSCGKSA-N 2 1 240.391 1.899 20 30 BDEDMP C=CC[N@H+](Cc1ccccc1)C[C@@](C)(O)C[NH2+]C ZINC000580654424 365848273 /nfs/dbraw/zinc/84/82/73/365848273.db2.gz UEAUMCRIRJRDRY-HNNXBMFYSA-N 2 1 248.370 1.645 20 30 BDEDMP C=CC[N@@H+](Cc1ccccc1)C[C@@](C)(O)C[NH2+]C ZINC000580654424 365848277 /nfs/dbraw/zinc/84/82/77/365848277.db2.gz UEAUMCRIRJRDRY-HNNXBMFYSA-N 2 1 248.370 1.645 20 30 BDEDMP C=C[C@@H](NCCCC[N@@H+](C)C1CC1)C(=O)OC ZINC000591376668 347650533 /nfs/dbraw/zinc/65/05/33/347650533.db2.gz RXUBTSFSUCRIHU-GFCCVEGCSA-N 2 1 240.347 1.178 20 30 BDEDMP C=C[C@H](NCCCC[N@@H+](C)C1CC1)C(=O)OC ZINC000591376669 347650614 /nfs/dbraw/zinc/65/06/14/347650614.db2.gz RXUBTSFSUCRIHU-LBPRGKRZSA-N 2 1 240.347 1.178 20 30 BDEDMP C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)C1C[NH2+]C1 ZINC000591573445 347676681 /nfs/dbraw/zinc/67/66/81/347676681.db2.gz XYLPZGHGYOEGNZ-VIFPVBQESA-N 2 1 249.745 1.909 20 30 BDEDMP N#C[C@@H]1CCC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000596651172 348606095 /nfs/dbraw/zinc/60/60/95/348606095.db2.gz ARPUYYSBRSPFBX-CQLXCSJHSA-N 2 1 219.332 1.410 20 30 BDEDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)CC#N ZINC000309380901 350361449 /nfs/dbraw/zinc/36/14/49/350361449.db2.gz RYBDNQQUCHZVKC-NSHDSACASA-N 2 1 220.320 1.864 20 30 BDEDMP C=CCCCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381012502 350374535 /nfs/dbraw/zinc/37/45/35/350374535.db2.gz SXRRJIFEKPPBSW-CYBMUJFWSA-N 2 1 226.364 1.387 20 30 BDEDMP C=CCCCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000381012502 350374538 /nfs/dbraw/zinc/37/45/38/350374538.db2.gz SXRRJIFEKPPBSW-CYBMUJFWSA-N 2 1 226.364 1.387 20 30 BDEDMP C=CCCOCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252733272 353302854 /nfs/dbraw/zinc/30/28/54/353302854.db2.gz YQINYOKNBUHTML-CHWSQXEVSA-N 2 1 226.364 1.509 20 30 BDEDMP CN(CCC[N@@H+](C)CCCC#N)CC[NH+](C)C ZINC000344041570 354107022 /nfs/dbraw/zinc/10/70/22/354107022.db2.gz WKAHSPGXCNGJKA-UHFFFAOYSA-N 2 1 240.395 1.105 20 30 BDEDMP C=CC[NH+]1CCC(N[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000344269696 354187678 /nfs/dbraw/zinc/18/76/78/354187678.db2.gz CEVIGLVCPUXVCP-TZMCWYRMSA-N 2 1 237.391 1.177 20 30 BDEDMP C=CC[NH+]1CCC(N[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000344269696 354187682 /nfs/dbraw/zinc/18/76/82/354187682.db2.gz CEVIGLVCPUXVCP-TZMCWYRMSA-N 2 1 237.391 1.177 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000334678363 354422763 /nfs/dbraw/zinc/42/27/63/354422763.db2.gz AFPSNGWWSIULLU-OLZOCXBDSA-N 2 1 224.348 1.404 20 30 BDEDMP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420320387 192195877 /nfs/dbraw/zinc/19/58/77/192195877.db2.gz BNBJDBMKJPGFLM-CHWSQXEVSA-N 2 1 208.349 1.884 20 30 BDEDMP C=CCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000303962705 134235639 /nfs/dbraw/zinc/23/56/39/134235639.db2.gz DLSXYDWJXQBZAQ-YHWZYXNKSA-N 2 1 224.348 1.404 20 30 BDEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCCC#N)CC[C@@H]21 ZINC000129115792 358583562 /nfs/dbraw/zinc/58/35/62/358583562.db2.gz MLXGKGVAULIJDT-OLZOCXBDSA-N 2 1 221.348 1.706 20 30 BDEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCCC#N)CC[C@@H]21 ZINC000129115792 358583564 /nfs/dbraw/zinc/58/35/64/358583564.db2.gz MLXGKGVAULIJDT-OLZOCXBDSA-N 2 1 221.348 1.706 20 30 BDEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCC#N)CC[C@@H]21 ZINC000129115792 358583566 /nfs/dbraw/zinc/58/35/66/358583566.db2.gz MLXGKGVAULIJDT-OLZOCXBDSA-N 2 1 221.348 1.706 20 30 BDEDMP C=CCC[C@@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000309564918 491151688 /nfs/dbraw/zinc/15/16/88/491151688.db2.gz LZGDORUWHDJUDF-GFCCVEGCSA-N 2 1 226.364 1.387 20 30 BDEDMP C=CC[C@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000629550533 361443013 /nfs/dbraw/zinc/44/30/13/361443013.db2.gz OCGIDDPTWVDVIC-QWHCGFSZSA-N 2 1 236.359 1.405 20 30 BDEDMP C=CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559771 361455530 /nfs/dbraw/zinc/45/55/30/361455530.db2.gz BVXXDKJMRWDDAG-DTWKUNHWSA-N 2 1 222.254 1.632 20 30 BDEDMP C=CC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559771 361455533 /nfs/dbraw/zinc/45/55/33/361455533.db2.gz BVXXDKJMRWDDAG-DTWKUNHWSA-N 2 1 222.254 1.632 20 30 BDEDMP C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000601327587 364669655 /nfs/dbraw/zinc/66/96/55/364669655.db2.gz WYWFWZKCBLFKIW-IUODEOHRSA-N 2 1 243.354 1.627 20 30 BDEDMP C#Cc1ccc(C[NH2+]CCC[NH+](C)C)cc1 ZINC000289062986 364716962 /nfs/dbraw/zinc/71/69/62/364716962.db2.gz CAEDQWBERUMPJN-UHFFFAOYSA-N 2 1 216.328 1.709 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCOC1(C)C ZINC000382226387 367499618 /nfs/dbraw/zinc/49/96/18/367499618.db2.gz OIGUTFGIFDECLF-GFCCVEGCSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCOC1(C)C ZINC000382226387 367499623 /nfs/dbraw/zinc/49/96/23/367499623.db2.gz OIGUTFGIFDECLF-GFCCVEGCSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000382318155 367506683 /nfs/dbraw/zinc/50/66/83/367506683.db2.gz SGZZPBHGMFTONW-OLZOCXBDSA-N 2 1 222.376 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000382318155 367506685 /nfs/dbraw/zinc/50/66/85/367506685.db2.gz SGZZPBHGMFTONW-OLZOCXBDSA-N 2 1 222.376 1.966 20 30 BDEDMP C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CCC[NH2+]C1 ZINC000600769596 369563720 /nfs/dbraw/zinc/56/37/20/369563720.db2.gz PFALYPGDDSFPDE-WDEREUQCSA-N 2 1 233.315 1.629 20 30 BDEDMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000131423943 371602498 /nfs/dbraw/zinc/60/24/98/371602498.db2.gz XLIAPJSVDRBIQQ-SMDDNHRTSA-N 2 1 229.327 1.870 20 30 BDEDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(C#N)c1 ZINC000131423943 371602502 /nfs/dbraw/zinc/60/25/02/371602502.db2.gz XLIAPJSVDRBIQQ-SMDDNHRTSA-N 2 1 229.327 1.870 20 30 BDEDMP C=C(C)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177380854 206007121 /nfs/dbraw/zinc/00/71/21/206007121.db2.gz PHGHVLYJCDEPFU-UHFFFAOYSA-N 2 1 239.407 1.520 20 30 BDEDMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H](C)C1 ZINC000424328770 206037263 /nfs/dbraw/zinc/03/72/63/206037263.db2.gz ONBZZLJUEVUHHJ-IGQOVBAYSA-N 2 1 235.375 1.999 20 30 BDEDMP C#CCC[N@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000361955772 533044200 /nfs/dbraw/zinc/04/42/00/533044200.db2.gz WMJLQHXHYHWPLD-UHFFFAOYSA-N 2 1 220.360 1.958 20 30 BDEDMP C#CCC[N@@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000361955772 533044206 /nfs/dbraw/zinc/04/42/06/533044206.db2.gz WMJLQHXHYHWPLD-UHFFFAOYSA-N 2 1 220.360 1.958 20 30 BDEDMP C[N@@H+]1CC=C(C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000309973707 384753977 /nfs/dbraw/zinc/75/39/77/384753977.db2.gz REBCERXJECLDBG-STQMWFEESA-N 2 1 219.332 1.530 20 30 BDEDMP C=C(C)COCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000090451308 384822264 /nfs/dbraw/zinc/82/22/64/384822264.db2.gz SBHZFQHGZNMYGU-HZSPNIEDSA-N 2 1 240.391 1.897 20 30 BDEDMP C[NH+](C)CCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000358314300 384895126 /nfs/dbraw/zinc/89/51/26/384895126.db2.gz WVIKAGFEVFSHNT-UHFFFAOYSA-N 2 1 235.306 1.739 20 30 BDEDMP C#CC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374846095 533099584 /nfs/dbraw/zinc/09/95/84/533099584.db2.gz NVIFXPKDJMGZJM-UHFFFAOYSA-N 2 1 243.354 1.863 20 30 BDEDMP N#CCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157909870 385304958 /nfs/dbraw/zinc/30/49/58/385304958.db2.gz GNWNTJWYAVOPLN-VXGBXAGGSA-N 2 1 207.321 1.507 20 30 BDEDMP C[N@H+]1CC[C@H]([NH2+]CCCC#N)[C@@H]2CCC[C@@H]21 ZINC000309597396 385725805 /nfs/dbraw/zinc/72/58/05/385725805.db2.gz WPJISQLDHCPSNC-AVGNSLFASA-N 2 1 221.348 1.753 20 30 BDEDMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232314995 385854691 /nfs/dbraw/zinc/85/46/91/385854691.db2.gz WQKONPQVAYPDEY-LLVKDONJSA-N 2 1 234.347 1.327 20 30 BDEDMP C[C@H]1C[C@H]([NH2+]CC(C)(C)CC#N)CC[N@H+]1C ZINC000414175995 386020609 /nfs/dbraw/zinc/02/06/09/386020609.db2.gz ZYDBSMFRAJMQTL-NWDGAFQWSA-N 2 1 223.364 1.999 20 30 BDEDMP CC#CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000365568259 386167916 /nfs/dbraw/zinc/16/79/16/386167916.db2.gz DRCOXBBWJNWYAL-HZSPNIEDSA-N 2 1 218.344 1.426 20 30 BDEDMP CC#CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000365568259 386167918 /nfs/dbraw/zinc/16/79/18/386167918.db2.gz DRCOXBBWJNWYAL-HZSPNIEDSA-N 2 1 218.344 1.426 20 30 BDEDMP CC#CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365568259 386167920 /nfs/dbraw/zinc/16/79/20/386167920.db2.gz DRCOXBBWJNWYAL-HZSPNIEDSA-N 2 1 218.344 1.426 20 30 BDEDMP CC#CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365568259 386167922 /nfs/dbraw/zinc/16/79/22/386167922.db2.gz DRCOXBBWJNWYAL-HZSPNIEDSA-N 2 1 218.344 1.426 20 30 BDEDMP C#CC[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000327980311 387601294 /nfs/dbraw/zinc/60/12/94/387601294.db2.gz IODDRLGUTOEXNC-UONOGXRCSA-N 2 1 237.391 1.014 20 30 BDEDMP C#CC[N@@H+](C)CCCN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000327980311 387601298 /nfs/dbraw/zinc/60/12/98/387601298.db2.gz IODDRLGUTOEXNC-UONOGXRCSA-N 2 1 237.391 1.014 20 30 BDEDMP C#CC[N@H+](C)CCCN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000327980311 387601302 /nfs/dbraw/zinc/60/13/02/387601302.db2.gz IODDRLGUTOEXNC-UONOGXRCSA-N 2 1 237.391 1.014 20 30 BDEDMP C=CC[NH+]1CCC(N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422863843 387746712 /nfs/dbraw/zinc/74/67/12/387746712.db2.gz SLIAXMVWFVFGHE-JSGCOSHPSA-N 2 1 237.391 1.354 20 30 BDEDMP C[C@@H]([NH2+]CC(C)(C)CC#N)[C@@H]1CCC[NH2+]1 ZINC000423169680 387955364 /nfs/dbraw/zinc/95/53/64/387955364.db2.gz KBEDXNVHVUSJAA-MNOVXSKESA-N 2 1 209.337 1.656 20 30 BDEDMP N#Cc1cccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050245317 387938391 /nfs/dbraw/zinc/93/83/91/387938391.db2.gz HMILLFBAIWSRBR-CYBMUJFWSA-N 2 1 215.300 1.339 20 30 BDEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1 ZINC000423231548 388017099 /nfs/dbraw/zinc/01/70/99/388017099.db2.gz GUIOCJXQSYBZPB-UTUOFQBUSA-N 2 1 207.321 1.410 20 30 BDEDMP C#C[C@H](C)[NH+](C)CCCC[N@H+](C)[C@@H](C)C#C ZINC000491699783 388312479 /nfs/dbraw/zinc/31/24/79/388312479.db2.gz JLKGFNWVLPHAIS-KBPBESRZSA-N 2 1 220.360 1.674 20 30 BDEDMP CCC[N@@H+](C)C[C@H]1CCN(CCCC#N)C1 ZINC000081572062 388584669 /nfs/dbraw/zinc/58/46/69/388584669.db2.gz HINUMERKZUIHAT-CYBMUJFWSA-N 2 1 223.364 1.954 20 30 BDEDMP CCC[N@H+](C)C[C@H]1CC[NH+](CCCC#N)C1 ZINC000081572062 388584672 /nfs/dbraw/zinc/58/46/72/388584672.db2.gz HINUMERKZUIHAT-CYBMUJFWSA-N 2 1 223.364 1.954 20 30 BDEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCC#N)C1 ZINC000081572062 388584673 /nfs/dbraw/zinc/58/46/73/388584673.db2.gz HINUMERKZUIHAT-CYBMUJFWSA-N 2 1 223.364 1.954 20 30 BDEDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCC#N)C1 ZINC000081572062 388584675 /nfs/dbraw/zinc/58/46/75/388584675.db2.gz HINUMERKZUIHAT-CYBMUJFWSA-N 2 1 223.364 1.954 20 30 BDEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCC#N)C1 ZINC000081572062 388584678 /nfs/dbraw/zinc/58/46/78/388584678.db2.gz HINUMERKZUIHAT-CYBMUJFWSA-N 2 1 223.364 1.954 20 30 BDEDMP C[C@@H]([NH2+]CCc1cccc(C#N)c1)[C@H]1CCC[NH2+]1 ZINC000423095761 388688332 /nfs/dbraw/zinc/68/83/32/388688332.db2.gz GALJMSBOGAOXJH-IUODEOHRSA-N 2 1 243.354 1.831 20 30 BDEDMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(C#N)cc1 ZINC000423381901 388691134 /nfs/dbraw/zinc/69/11/34/388691134.db2.gz DCRPPNSAGAODBJ-GXFFZTMASA-N 2 1 217.316 1.946 20 30 BDEDMP C=C(C)CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000351731017 533484775 /nfs/dbraw/zinc/48/47/75/533484775.db2.gz RVVWHWDELRHLMD-UHFFFAOYSA-N 2 1 239.407 1.522 20 30 BDEDMP COCC[NH+]1CCC([NH2+]CCCCC#N)CC1 ZINC000360245990 134199404 /nfs/dbraw/zinc/19/94/04/134199404.db2.gz RQJWFJHOMGQHTR-UHFFFAOYSA-N 2 1 239.363 1.381 20 30 BDEDMP C=C(C)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369353053 134222310 /nfs/dbraw/zinc/22/23/10/134222310.db2.gz GVMMNOKRQNYTMZ-AWEZNQCLSA-N 2 1 237.391 1.274 20 30 BDEDMP C=C(C)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369353053 134222311 /nfs/dbraw/zinc/22/23/11/134222311.db2.gz GVMMNOKRQNYTMZ-AWEZNQCLSA-N 2 1 237.391 1.274 20 30 BDEDMP CC#CC[NH+](C)CCCC[N@H+](C)CC#CC ZINC000121674103 135225303 /nfs/dbraw/zinc/22/53/03/135225303.db2.gz OGMFZUHGQJUVED-UHFFFAOYSA-N 2 1 220.360 1.677 20 30 BDEDMP C[C@@H](CNC(=[NH2+])NC1CC1)[N@H+]1CCCC[C@@H]1C ZINC000261709258 135247377 /nfs/dbraw/zinc/24/73/77/135247377.db2.gz DIQWJSWIBGXHLT-QWRGUYRKSA-N 2 1 238.379 1.316 20 30 BDEDMP C[C@@H](CNC(=[NH2+])NC1CC1)[N@H+]1CCCC[C@H]1C ZINC000261709254 135247469 /nfs/dbraw/zinc/24/74/69/135247469.db2.gz DIQWJSWIBGXHLT-MNOVXSKESA-N 2 1 238.379 1.316 20 30 BDEDMP CN(C)C(=[NH+]CC[N@H+]1CCCC1(C)C)N(C)C ZINC000263078168 135331481 /nfs/dbraw/zinc/33/14/81/135331481.db2.gz HLJQAIHABPYGEK-UHFFFAOYSA-N 2 1 240.395 1.340 20 30 BDEDMP C=CCOCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000643479480 398109572 /nfs/dbraw/zinc/10/95/72/398109572.db2.gz CWYAHBHSCRWNMG-DZGCQCFKSA-N 2 1 248.370 1.737 20 30 BDEDMP C=CCOCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000302387514 411137103 /nfs/dbraw/zinc/13/71/03/411137103.db2.gz MRRKOIHOINVCEV-UONOGXRCSA-N 2 1 232.327 1.923 20 30 BDEDMP C=CCC[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347929 411208995 /nfs/dbraw/zinc/20/89/95/411208995.db2.gz PISYYQFUZWHGRA-MELADBBJSA-N 2 1 238.375 1.781 20 30 BDEDMP C=CC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000662299560 412085632 /nfs/dbraw/zinc/08/56/32/412085632.db2.gz ROMXOZKCXFVQHW-OLZOCXBDSA-N 2 1 208.349 1.884 20 30 BDEDMP C=CC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H](C)COC ZINC000662299653 412086180 /nfs/dbraw/zinc/08/61/80/412086180.db2.gz TYTRZGPBBLHYFL-UONOGXRCSA-N 2 1 240.391 1.899 20 30 BDEDMP C=CC[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000662298975 412087395 /nfs/dbraw/zinc/08/73/95/412087395.db2.gz ICSJWXPKDJJWAN-AWEZNQCLSA-N 2 1 237.391 1.180 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)C1CC1 ZINC000328109303 262907800 /nfs/dbraw/zinc/90/78/00/262907800.db2.gz NOCHFCQBYFKPMW-ZDUSSCGKSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)C1CC1 ZINC000328109303 262907802 /nfs/dbraw/zinc/90/78/02/262907802.db2.gz NOCHFCQBYFKPMW-ZDUSSCGKSA-N 2 1 208.349 1.720 20 30 BDEDMP Cc1cc(N[C@H]2CC[N@H+](C3CC3)C2)c(C#N)cn1 ZINC000399488207 267301474 /nfs/dbraw/zinc/30/14/74/267301474.db2.gz HADLAGZJBBTQFS-LBPRGKRZSA-N 2 1 242.326 1.332 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](C#N)CCC#N ZINC000564322029 325359842 /nfs/dbraw/zinc/35/98/42/325359842.db2.gz ZIXBOTSPVMPURT-GFCCVEGCSA-N 2 1 231.303 1.225 20 30 BDEDMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309611595 535590746 /nfs/dbraw/zinc/59/07/46/535590746.db2.gz BMIIXOIJBOYMMD-XQQFMLRXSA-N 2 1 223.364 1.999 20 30 BDEDMP C=CCCC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000367025716 534717562 /nfs/dbraw/zinc/71/75/62/534717562.db2.gz DKXACENWNBRSCB-STQMWFEESA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCCC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000367025716 534717548 /nfs/dbraw/zinc/71/75/48/534717548.db2.gz DKXACENWNBRSCB-STQMWFEESA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCCC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000367025716 534717553 /nfs/dbraw/zinc/71/75/53/534717553.db2.gz DKXACENWNBRSCB-STQMWFEESA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCCC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000367025716 534717556 /nfs/dbraw/zinc/71/75/56/534717556.db2.gz DKXACENWNBRSCB-STQMWFEESA-N 2 1 208.349 1.979 20 30 BDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1CC1(C)C ZINC000261965202 535598053 /nfs/dbraw/zinc/59/80/53/535598053.db2.gz AXPYALNMDPMAFM-QWRGUYRKSA-N 2 1 238.379 1.174 20 30 BDEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NCCC(C)C ZINC000104191471 583162607 /nfs/dbraw/zinc/16/26/07/583162607.db2.gz SPPBTJHGDJQOPA-LBPRGKRZSA-N 2 1 242.411 1.667 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000894863433 583535905 /nfs/dbraw/zinc/53/59/05/583535905.db2.gz CINWIFNGMLOMPP-WDEREUQCSA-N 2 1 230.302 1.575 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000894863433 583535906 /nfs/dbraw/zinc/53/59/06/583535906.db2.gz CINWIFNGMLOMPP-WDEREUQCSA-N 2 1 230.302 1.575 20 30 BDEDMP C=CCNN=Cc1cnccc1N(C)C ZINC000794994212 583637897 /nfs/dbraw/zinc/63/78/97/583637897.db2.gz ODZZBAAMINISPY-UHFFFAOYSA-N 2 1 204.277 1.257 20 30 BDEDMP CCO[C@H](C[NH2+]C[C@H](C)CCC#N)C[NH+](C)C ZINC000896880315 583845578 /nfs/dbraw/zinc/84/55/78/583845578.db2.gz UIWJVGKCSRHAHI-CHWSQXEVSA-N 2 1 241.379 1.483 20 30 BDEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])NCCC(C)C ZINC000104191468 583914862 /nfs/dbraw/zinc/91/48/62/583914862.db2.gz SPPBTJHGDJQOPA-GFCCVEGCSA-N 2 1 242.411 1.667 20 30 BDEDMP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(C#N)cc1 ZINC000902412802 584582556 /nfs/dbraw/zinc/58/25/56/584582556.db2.gz FKEKMBWSBFYHFT-JTQLQIEISA-N 2 1 215.300 1.700 20 30 BDEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])CC1)CC2 ZINC000902404899 584589082 /nfs/dbraw/zinc/58/90/82/584589082.db2.gz GTSGMXWCPHBQHW-CYBMUJFWSA-N 2 1 227.311 1.626 20 30 BDEDMP C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)CC[C@@H]1[NH3+] ZINC000903425013 584765367 /nfs/dbraw/zinc/76/53/67/584765367.db2.gz ORAMIFPIRUQXED-RYSNWHEDSA-N 2 1 235.375 1.985 20 30 BDEDMP C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)C[C@H]1C[NH3+] ZINC000903477348 584778272 /nfs/dbraw/zinc/77/82/72/584778272.db2.gz ZIMXILZMNUFMTD-BLYZHGLHSA-N 2 1 235.375 1.843 20 30 BDEDMP C[N@@H+](Cc1cc(C#N)cs1)C[C@@H]1CC[NH2+]C1 ZINC000903827861 584805091 /nfs/dbraw/zinc/80/50/91/584805091.db2.gz YYAXFNRLWITQBE-SNVBAGLBSA-N 2 1 235.356 1.661 20 30 BDEDMP C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CC[NH2+]C1 ZINC000903827861 584805092 /nfs/dbraw/zinc/80/50/92/584805092.db2.gz YYAXFNRLWITQBE-SNVBAGLBSA-N 2 1 235.356 1.661 20 30 BDEDMP C#CCCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000815143869 586669850 /nfs/dbraw/zinc/66/98/50/586669850.db2.gz OSWDGXXYWVYRDR-CQSZACIVSA-N 2 1 220.360 1.818 20 30 BDEDMP C#CCCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815143869 586669852 /nfs/dbraw/zinc/66/98/52/586669852.db2.gz OSWDGXXYWVYRDR-CQSZACIVSA-N 2 1 220.360 1.818 20 30 BDEDMP C#CCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815143869 586669855 /nfs/dbraw/zinc/66/98/55/586669855.db2.gz OSWDGXXYWVYRDR-CQSZACIVSA-N 2 1 220.360 1.818 20 30 BDEDMP C=C(Cl)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000817903631 586836065 /nfs/dbraw/zinc/83/60/65/586836065.db2.gz HCZPVGGRUUPFCH-PSASIEDQSA-N 2 1 202.729 1.717 20 30 BDEDMP C=CCNC(=[NH2+])NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000848996045 588428988 /nfs/dbraw/zinc/42/89/88/588428988.db2.gz AMYPKYQLWAGSHJ-NSHDSACASA-N 2 1 224.352 1.017 20 30 BDEDMP C[NH+]=C(NCC[N@H+]1CCCC1(C)C)NC1CC1 ZINC000849039147 588446910 /nfs/dbraw/zinc/44/69/10/588446910.db2.gz KHZGBOFYHIQGOJ-UHFFFAOYSA-N 2 1 238.379 1.188 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CSCCF ZINC000850471169 588548891 /nfs/dbraw/zinc/54/88/91/588548891.db2.gz MYFDIMLCSVSDKH-GFCCVEGCSA-N 2 1 246.395 1.622 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CSCCF ZINC000850471169 588548893 /nfs/dbraw/zinc/54/88/93/588548893.db2.gz MYFDIMLCSVSDKH-GFCCVEGCSA-N 2 1 246.395 1.622 20 30 BDEDMP C#CCOCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000852041379 588657163 /nfs/dbraw/zinc/65/71/63/588657163.db2.gz TZMOJCIEYDFLOW-PBWFPOADSA-N 2 1 236.359 1.193 20 30 BDEDMP C#CCOCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000852041379 588657164 /nfs/dbraw/zinc/65/71/64/588657164.db2.gz TZMOJCIEYDFLOW-PBWFPOADSA-N 2 1 236.359 1.193 20 30 BDEDMP C#CCOCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000852041379 588657165 /nfs/dbraw/zinc/65/71/65/588657165.db2.gz TZMOJCIEYDFLOW-PBWFPOADSA-N 2 1 236.359 1.193 20 30 BDEDMP C#CCOCCN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000852107346 588664026 /nfs/dbraw/zinc/66/40/26/588664026.db2.gz KXNIYVSRYQRIDX-AWEZNQCLSA-N 2 1 236.359 1.054 20 30 BDEDMP C#CCOCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000852107346 588664027 /nfs/dbraw/zinc/66/40/27/588664027.db2.gz KXNIYVSRYQRIDX-AWEZNQCLSA-N 2 1 236.359 1.054 20 30 BDEDMP C#CCOCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000852107346 588664028 /nfs/dbraw/zinc/66/40/28/588664028.db2.gz KXNIYVSRYQRIDX-AWEZNQCLSA-N 2 1 236.359 1.054 20 30 BDEDMP C#C[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000852215843 588673178 /nfs/dbraw/zinc/67/31/78/588673178.db2.gz ONTYYYQLJBWPQS-ZIAGYGMSSA-N 2 1 238.375 1.033 20 30 BDEDMP C#C[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000852215843 588673179 /nfs/dbraw/zinc/67/31/79/588673179.db2.gz ONTYYYQLJBWPQS-ZIAGYGMSSA-N 2 1 238.375 1.033 20 30 BDEDMP C#C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000852215843 588673180 /nfs/dbraw/zinc/67/31/80/588673180.db2.gz ONTYYYQLJBWPQS-ZIAGYGMSSA-N 2 1 238.375 1.033 20 30 BDEDMP C#C[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000852215843 588673181 /nfs/dbraw/zinc/67/31/81/588673181.db2.gz ONTYYYQLJBWPQS-ZIAGYGMSSA-N 2 1 238.375 1.033 20 30 BDEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000203055492 589212946 /nfs/dbraw/zinc/21/29/46/589212946.db2.gz DYJHMRIXYBSTID-NSHDSACASA-N 2 1 238.379 1.175 20 30 BDEDMP CC[N@@H+]1CCC(=[NH+]n2cccn2)[C@H](C)C1 ZINC000863165603 589267222 /nfs/dbraw/zinc/26/72/22/589267222.db2.gz HGECQDQPIIVRRC-SNVBAGLBSA-N 2 1 206.293 1.449 20 30 BDEDMP CC[N@H+]1CCC(=[NH+]n2cccn2)[C@H](C)C1 ZINC000863165603 589267223 /nfs/dbraw/zinc/26/72/23/589267223.db2.gz HGECQDQPIIVRRC-SNVBAGLBSA-N 2 1 206.293 1.449 20 30 BDEDMP C=C(C)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579782 590817127 /nfs/dbraw/zinc/81/71/27/590817127.db2.gz AZSDEZDSVCOXQG-OLZOCXBDSA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(C)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579782 590817130 /nfs/dbraw/zinc/81/71/30/590817130.db2.gz AZSDEZDSVCOXQG-OLZOCXBDSA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579782 590817133 /nfs/dbraw/zinc/81/71/33/590817133.db2.gz AZSDEZDSVCOXQG-OLZOCXBDSA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579782 590817136 /nfs/dbraw/zinc/81/71/36/590817136.db2.gz AZSDEZDSVCOXQG-OLZOCXBDSA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(CC)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579816 590818347 /nfs/dbraw/zinc/81/83/47/590818347.db2.gz BULDRENVJFZGPU-CHWSQXEVSA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(CC)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579816 590818351 /nfs/dbraw/zinc/81/83/51/590818351.db2.gz BULDRENVJFZGPU-CHWSQXEVSA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(CC)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579816 590818353 /nfs/dbraw/zinc/81/83/53/590818353.db2.gz BULDRENVJFZGPU-CHWSQXEVSA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(CC)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579816 590818356 /nfs/dbraw/zinc/81/83/56/590818356.db2.gz BULDRENVJFZGPU-CHWSQXEVSA-N 2 1 208.349 1.979 20 30 BDEDMP C#CCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580641 590821756 /nfs/dbraw/zinc/82/17/56/590821756.db2.gz ISVHWVQBZPAQPV-STQMWFEESA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580641 590821757 /nfs/dbraw/zinc/82/17/57/590821757.db2.gz ISVHWVQBZPAQPV-STQMWFEESA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580641 590821760 /nfs/dbraw/zinc/82/17/60/590821760.db2.gz ISVHWVQBZPAQPV-STQMWFEESA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580641 590821762 /nfs/dbraw/zinc/82/17/62/590821762.db2.gz ISVHWVQBZPAQPV-STQMWFEESA-N 2 1 206.333 1.426 20 30 BDEDMP C=C(C)C[C@@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000883389092 591640462 /nfs/dbraw/zinc/64/04/62/591640462.db2.gz KNRZKUMRXPBZBZ-ZDUSSCGKSA-N 2 1 226.364 1.387 20 30 BDEDMP CCCNC(=[NH2+])NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000104181478 592604079 /nfs/dbraw/zinc/60/40/79/592604079.db2.gz DNFVWYUPJDHEME-GFCCVEGCSA-N 2 1 240.395 1.421 20 30 BDEDMP C=C(CC)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000313489343 634476141 /nfs/dbraw/zinc/47/61/41/634476141.db2.gz RRAGZUUYZJALHB-OBPIAQAESA-N 2 1 206.333 1.539 20 30 BDEDMP C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000253188624 634525498 /nfs/dbraw/zinc/52/54/98/634525498.db2.gz JWQDYIBLNSPCOA-SWLSCSKDSA-N 2 1 243.354 1.975 20 30 BDEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000178564100 635504392 /nfs/dbraw/zinc/50/43/92/635504392.db2.gz LGRGLMLKICFNTD-NSHDSACASA-N 2 1 247.346 1.150 20 30 BDEDMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1C#N ZINC000925841449 635506783 /nfs/dbraw/zinc/50/67/83/635506783.db2.gz REASMAQFPNIZBE-ZIAGYGMSSA-N 2 1 229.327 1.836 20 30 BDEDMP CCCCCCCC[N@@H+](C)C[C@H](O)C[NH3+] ZINC000308834099 631675800 /nfs/dbraw/zinc/67/58/00/631675800.db2.gz HLYZEGCSWZEMGG-GFCCVEGCSA-N 2 1 216.369 1.598 20 30 BDEDMP C=C[C@H](CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926725640 632882363 /nfs/dbraw/zinc/88/23/63/632882363.db2.gz ADNHOSOLBTVMAK-CYBMUJFWSA-N 2 1 240.391 1.633 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OC)cc1 ZINC000328144215 633735373 /nfs/dbraw/zinc/73/53/73/633735373.db2.gz CNMWNYUTYPPAKC-UHFFFAOYSA-N 2 1 246.354 1.740 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OC)cc1 ZINC000328144215 633735378 /nfs/dbraw/zinc/73/53/78/633735378.db2.gz CNMWNYUTYPPAKC-UHFFFAOYSA-N 2 1 246.354 1.740 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1OC ZINC000328157057 633737552 /nfs/dbraw/zinc/73/75/52/633737552.db2.gz GZQOPQNJBBANDO-OLZOCXBDSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1OC ZINC000328157057 633737563 /nfs/dbraw/zinc/73/75/63/633737563.db2.gz GZQOPQNJBBANDO-OLZOCXBDSA-N 2 1 224.348 1.099 20 30 BDEDMP C=C(C)COCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328503410 633773998 /nfs/dbraw/zinc/77/39/98/633773998.db2.gz WIDIIGPYKARYOS-MEBFFEOJSA-N 2 1 236.359 1.165 20 30 BDEDMP C[C@H]([NH2+]Cc1cc(C#N)ccc1F)[C@@H]1CC[NH2+]C1 ZINC000925811218 635364546 /nfs/dbraw/zinc/36/45/46/635364546.db2.gz COPBTURMWNXMDR-CMPLNLGQSA-N 2 1 247.317 1.785 20 30 BDEDMP C=C(C)[C@@H](CO)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931311323 640147784 /nfs/dbraw/zinc/14/77/84/640147784.db2.gz LZPREMUHIVXNPO-MCIONIFRSA-N 2 1 238.375 1.197 20 30 BDEDMP C=C(C)[C@@H](CO)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931311323 640147785 /nfs/dbraw/zinc/14/77/85/640147785.db2.gz LZPREMUHIVXNPO-MCIONIFRSA-N 2 1 238.375 1.197 20 30 BDEDMP C=C(CC)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437008 640203448 /nfs/dbraw/zinc/20/34/48/640203448.db2.gz CQNVXTDCKYSLRH-QWHCGFSZSA-N 2 1 208.349 1.836 20 30 BDEDMP C=C(CC)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437008 640203451 /nfs/dbraw/zinc/20/34/51/640203451.db2.gz CQNVXTDCKYSLRH-QWHCGFSZSA-N 2 1 208.349 1.836 20 30 BDEDMP C=C(CC)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437008 640203454 /nfs/dbraw/zinc/20/34/54/640203454.db2.gz CQNVXTDCKYSLRH-QWHCGFSZSA-N 2 1 208.349 1.836 20 30 BDEDMP C#CC[N@@H+](CCCc1c[nH+]cn1C)C(C)C ZINC000932386799 640513968 /nfs/dbraw/zinc/51/39/68/640513968.db2.gz AXQFHLAIFLOZJF-UHFFFAOYSA-N 2 1 219.332 1.696 20 30 BDEDMP C#CC[N@H+](CCCc1c[nH+]cn1C)C(C)C ZINC000932386799 640513974 /nfs/dbraw/zinc/51/39/74/640513974.db2.gz AXQFHLAIFLOZJF-UHFFFAOYSA-N 2 1 219.332 1.696 20 30 BDEDMP C#CCC1([NH2+]CCc2c[nH+]cn2C)CCC1 ZINC000933295817 640700491 /nfs/dbraw/zinc/70/04/91/640700491.db2.gz XKQLSNQFBPXYMZ-UHFFFAOYSA-N 2 1 217.316 1.498 20 30 BDEDMP C#CCSCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181098156 642837619 /nfs/dbraw/zinc/83/76/19/642837619.db2.gz UZKLIQCQLBKXIM-NEPJUHHUSA-N 2 1 226.389 1.425 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000923280820 644313799 /nfs/dbraw/zinc/31/37/99/644313799.db2.gz JOFLOJAXOLLJKV-FRRDWIJNSA-N 2 1 226.364 1.515 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000923286884 644320016 /nfs/dbraw/zinc/32/00/16/644320016.db2.gz AXPZPYYXRWIJFF-RWMBFGLXSA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000923286884 644320024 /nfs/dbraw/zinc/32/00/24/644320024.db2.gz AXPZPYYXRWIJFF-RWMBFGLXSA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000923288468 644323015 /nfs/dbraw/zinc/32/30/15/644323015.db2.gz KAKNRVCMJVJVHI-AVGNSLFASA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCCCCC[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923316351 644344836 /nfs/dbraw/zinc/34/48/36/644344836.db2.gz OTFLKFPOBMZNJG-AVGNSLFASA-N 2 1 226.364 1.515 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+](CCC)C1CC[NH2+]CC1 ZINC000923327126 644352922 /nfs/dbraw/zinc/35/29/22/644352922.db2.gz NQFZNHARXHTAFZ-CQSZACIVSA-N 2 1 240.391 1.778 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000923336999 644357092 /nfs/dbraw/zinc/35/70/92/644357092.db2.gz WGPBVRCGXPMAAM-UONOGXRCSA-N 2 1 240.391 1.778 20 30 BDEDMP C=CCC[C@H](O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000923374902 644387773 /nfs/dbraw/zinc/38/77/73/644387773.db2.gz VVRXXZNIPLNZJV-UONOGXRCSA-N 2 1 240.391 1.811 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000923376546 644391312 /nfs/dbraw/zinc/39/13/12/644391312.db2.gz YRFCJQCAPANVOE-UPJWGTAASA-N 2 1 226.364 1.230 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000923391379 644395474 /nfs/dbraw/zinc/39/54/74/644395474.db2.gz DXYBERNFLHZVRR-SRVKXCTJSA-N 2 1 212.337 1.125 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923494479 644470909 /nfs/dbraw/zinc/47/09/09/644470909.db2.gz XWDBSRJORVDEJR-XQQFMLRXSA-N 2 1 226.364 1.230 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1C[NH3+] ZINC000923497986 644472580 /nfs/dbraw/zinc/47/25/80/644472580.db2.gz HEQNQZLPFSAJKB-DOMZBBRYSA-N 2 1 243.354 1.975 20 30 BDEDMP CNC(NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)=[NH+]C ZINC000303253146 644811561 /nfs/dbraw/zinc/81/15/61/644811561.db2.gz CIQKVCMBOQQEDV-TXEJJXNPSA-N 2 1 240.395 1.149 20 30 BDEDMP CNC(NCCCC[N@H+]1CCC[C@@H](C)C1)=[NH+]C ZINC000303263280 644813185 /nfs/dbraw/zinc/81/31/85/644813185.db2.gz QVEAAENOXSAYET-GFCCVEGCSA-N 2 1 240.395 1.293 20 30 BDEDMP CCCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303719258 644840044 /nfs/dbraw/zinc/84/00/44/644840044.db2.gz VTOXYRBYGXBGTF-LBPRGKRZSA-N 2 1 240.395 1.565 20 30 BDEDMP C=CCC[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252810996 644910291 /nfs/dbraw/zinc/91/02/91/644910291.db2.gz NYFLZWFCBXMBJU-IHRRRGAJSA-N 2 1 238.375 1.794 20 30 BDEDMP C=CCC[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252810996 644910293 /nfs/dbraw/zinc/91/02/93/644910293.db2.gz NYFLZWFCBXMBJU-IHRRRGAJSA-N 2 1 238.375 1.794 20 30 BDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC1CC1 ZINC000304736376 644927979 /nfs/dbraw/zinc/92/79/79/644927979.db2.gz ABHHXZMHHPKBDP-GFCCVEGCSA-N 2 1 238.379 1.175 20 30 BDEDMP C#C[C@H](CC)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252959227 644928023 /nfs/dbraw/zinc/92/80/23/644928023.db2.gz UCIWJQDOYKMUTE-AGIUHOORSA-N 2 1 206.333 1.615 20 30 BDEDMP CCCC[N@@H+](C)CCNC(=[NH2+])NCCC(C)C ZINC000304741706 644928514 /nfs/dbraw/zinc/92/85/14/644928514.db2.gz CFTMQUZSKUAUJO-UHFFFAOYSA-N 2 1 242.411 1.669 20 30 BDEDMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000926617584 645318453 /nfs/dbraw/zinc/31/84/53/645318453.db2.gz YCWYAZLWSFCJLY-UKIXVXPJSA-N 2 1 233.359 1.608 20 30 BDEDMP C=CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926686191 645355770 /nfs/dbraw/zinc/35/57/70/645355770.db2.gz TULXHNMNNLHTCM-AGUYFDCRSA-N 2 1 238.375 1.794 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925694214 646420476 /nfs/dbraw/zinc/42/04/76/646420476.db2.gz UAHVQHPHDJLTLA-KQBRZWLDSA-N 2 1 248.370 1.306 20 30 BDEDMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000925711987 646437212 /nfs/dbraw/zinc/43/72/12/646437212.db2.gz YROCAIORSLNSRR-AXFHLTTASA-N 2 1 207.321 1.409 20 30 BDEDMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C#N)C[C@H]21 ZINC000384685023 710996124 /nfs/dbraw/zinc/99/61/24/710996124.db2.gz BGTNDINUBARLPL-ITGUQSILSA-N 2 1 235.375 1.808 20 30 BDEDMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C#N)C[C@H]21 ZINC000384685023 710996126 /nfs/dbraw/zinc/99/61/26/710996126.db2.gz BGTNDINUBARLPL-ITGUQSILSA-N 2 1 235.375 1.808 20 30 BDEDMP C[C@H]1C(N=NC(N)=[NH2+])CC[N@H+]1Cc1ccccc1 ZINC000381048065 710600208 /nfs/dbraw/zinc/60/02/08/710600208.db2.gz GFAGVGQTHKEBJV-JTQLQIEISA-N 2 1 245.330 1.120 20 30 BDEDMP C=C(Cl)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000069721213 711893538 /nfs/dbraw/zinc/89/35/38/711893538.db2.gz RWZZATIINBCNSB-SNVBAGLBSA-N 2 1 202.729 1.942 20 30 BDEDMP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000069721213 711893539 /nfs/dbraw/zinc/89/35/39/711893539.db2.gz RWZZATIINBCNSB-SNVBAGLBSA-N 2 1 202.729 1.942 20 30 BDEDMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2 ZINC000703584420 712079619 /nfs/dbraw/zinc/07/96/19/712079619.db2.gz RTHNNBANUIOICW-LSDHHAIUSA-N 2 1 241.338 1.600 20 30 BDEDMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC000703584420 712079620 /nfs/dbraw/zinc/07/96/20/712079620.db2.gz RTHNNBANUIOICW-LSDHHAIUSA-N 2 1 241.338 1.600 20 30 BDEDMP CCCCCCCCC[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206506560 968345437 /nfs/dbraw/zinc/34/54/37/968345437.db2.gz GHYSSINAOOWJPN-KBPBESRZSA-N 2 1 242.407 1.988 20 30 BDEDMP C=C[C@](C)(O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001252582941 968835757 /nfs/dbraw/zinc/83/57/57/968835757.db2.gz ZPBUPPBIHAVMOW-FQUUOJAGSA-N 2 1 238.375 1.528 20 30 BDEDMP C=CCC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001252615291 968871761 /nfs/dbraw/zinc/87/17/61/968871761.db2.gz YDVCNZCKYNOORY-STQMWFEESA-N 2 1 226.364 1.245 20 30 BDEDMP C[N@@H+]([C@@H]1CC[C@H](C#N)C1)C1CCC([NH3+])CC1 ZINC001254641641 969756290 /nfs/dbraw/zinc/75/62/90/969756290.db2.gz CMAQMVOUIXWGTQ-YWPUVAFDSA-N 2 1 221.348 1.880 20 30 BDEDMP C=C[C@@](C)(O)C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC001252575127 983829299 /nfs/dbraw/zinc/82/92/99/983829299.db2.gz VKAMSEDLWCJPJX-ZIAGYGMSSA-N 2 1 240.391 1.778 20 30 BDEDMP C=C[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001252585930 983835852 /nfs/dbraw/zinc/83/58/52/983835852.db2.gz VZJRXQQLAKFKGV-MCIONIFRSA-N 2 1 240.391 1.632 20 30 BDEDMP C[C@H](CCC#N)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001575942006 984137239 /nfs/dbraw/zinc/13/72/39/984137239.db2.gz ZWBMSYFBFWTIMB-UTUOFQBUSA-N 2 1 207.321 1.220 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246019020 972115826 /nfs/dbraw/zinc/11/58/26/972115826.db2.gz HEOVJTRNAXEQPI-CHWSQXEVSA-N 2 1 244.354 1.466 20 30 BDEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246187131 972212044 /nfs/dbraw/zinc/21/20/44/972212044.db2.gz KMWLVNMEQVKQIF-IUODEOHRSA-N 2 1 243.354 1.831 20 30 BDEDMP N#Cc1ccc([C@H](O)C[NH+]2CCC([NH3+])CC2)cc1 ZINC000402157696 957080481 /nfs/dbraw/zinc/08/04/81/957080481.db2.gz OUYMWDQXAGVKSL-CQSZACIVSA-N 2 1 245.326 1.015 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205093857 967340867 /nfs/dbraw/zinc/34/08/67/967340867.db2.gz GSTCZFWWSXZZAC-CQSZACIVSA-N 2 1 229.327 1.871 20 30 BDEDMP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc(C#N)n2)CC1 ZINC001205280654 967472280 /nfs/dbraw/zinc/47/22/80/967472280.db2.gz FIUACWGFFIGJSY-CQSZACIVSA-N 2 1 244.342 1.657 20 30 BDEDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(C#N)n2)CC1 ZINC001205280654 967472283 /nfs/dbraw/zinc/47/22/83/967472283.db2.gz FIUACWGFFIGJSY-CQSZACIVSA-N 2 1 244.342 1.657 20 30 BDEDMP N#Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206156986 968089731 /nfs/dbraw/zinc/08/97/31/968089731.db2.gz VGAICSNCZPXTQK-KBPBESRZSA-N 2 1 247.317 1.819 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206156986 968089740 /nfs/dbraw/zinc/08/97/40/968089740.db2.gz VGAICSNCZPXTQK-KBPBESRZSA-N 2 1 247.317 1.819 20 30 BDEDMP N#Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206153191 968091725 /nfs/dbraw/zinc/09/17/25/968091725.db2.gz CDGCYCKLXCANHH-ZIAGYGMSSA-N 2 1 247.317 1.819 20 30 BDEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206153191 968091732 /nfs/dbraw/zinc/09/17/32/968091732.db2.gz CDGCYCKLXCANHH-ZIAGYGMSSA-N 2 1 247.317 1.819 20 30 BDEDMP N#Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206153187 968093157 /nfs/dbraw/zinc/09/31/57/968093157.db2.gz CDGCYCKLXCANHH-UONOGXRCSA-N 2 1 247.317 1.819 20 30 BDEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206153187 968093167 /nfs/dbraw/zinc/09/31/67/968093167.db2.gz CDGCYCKLXCANHH-UONOGXRCSA-N 2 1 247.317 1.819 20 30 BDEDMP C=C[C@@](C)(O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001252575685 968827063 /nfs/dbraw/zinc/82/70/63/968827063.db2.gz DKQLXAOIUWSKOP-CYBMUJFWSA-N 2 1 224.348 1.140 20 30 BDEDMP CC[N@@H+](CCC#N)CC1CC[NH+](CC)CC1 ZINC001208599656 969152459 /nfs/dbraw/zinc/15/24/59/969152459.db2.gz JWWDHKQVFVUFAS-UHFFFAOYSA-N 2 1 223.364 1.954 20 30 BDEDMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(S)CC2)C1 ZINC001208612232 969168086 /nfs/dbraw/zinc/16/80/86/969168086.db2.gz LDZOGGKMJHCMJU-LLVKDONJSA-N 2 1 228.405 1.722 20 30 BDEDMP C#CCCC[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001209267212 969418277 /nfs/dbraw/zinc/41/82/77/969418277.db2.gz MNKHHBYIIXGZFH-CABCVRRESA-N 2 1 249.402 1.110 20 30 BDEDMP C#C[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169142651 969458631 /nfs/dbraw/zinc/45/86/31/969458631.db2.gz FERHTDZTIJYSPX-BYNSBNAKSA-N 2 1 232.371 1.957 20 30 BDEDMP C#C[C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169142651 969458637 /nfs/dbraw/zinc/45/86/37/969458637.db2.gz FERHTDZTIJYSPX-BYNSBNAKSA-N 2 1 232.371 1.957 20 30 BDEDMP C#C[C@](C)(CC)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254505819 969676525 /nfs/dbraw/zinc/67/65/25/969676525.db2.gz JPRQNYAJUPPOIG-CHWSQXEVSA-N 2 1 208.349 1.862 20 30 BDEDMP N#C[C@@H]1CC[C@H](n2c[nH+]cc2CC[NH3+])C1 ZINC001254634500 969751002 /nfs/dbraw/zinc/75/10/02/969751002.db2.gz GXYDCIZNYUEGPA-ZJUUUORDSA-N 2 1 204.277 1.249 20 30 BDEDMP CCC[N@@H+](CCC[NH3+])[C@@H]1CC[C@@H](C#N)C1 ZINC001254636384 969753977 /nfs/dbraw/zinc/75/39/77/969753977.db2.gz KSNJZDVHMURSPB-VXGBXAGGSA-N 2 1 209.337 1.739 20 30 BDEDMP N#CC1CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001256071712 970635879 /nfs/dbraw/zinc/63/58/79/970635879.db2.gz MCIDQMRZRYTDNB-UHFFFAOYSA-N 2 1 219.332 1.505 20 30 BDEDMP C=CCO[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001327416177 972572568 /nfs/dbraw/zinc/57/25/68/972572568.db2.gz PNEWPCNZYKDSBO-MELADBBJSA-N 2 1 238.375 1.651 20 30 BDEDMP C[C@@H](CCCC#N)[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246544336 972615666 /nfs/dbraw/zinc/61/56/66/972615666.db2.gz XZPICDCYTSMRSR-NWDGAFQWSA-N 2 1 209.337 1.882 20 30 BDEDMP N#CC1CCC([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246862774 973181712 /nfs/dbraw/zinc/18/17/12/973181712.db2.gz RIIGEZHUAOYVIK-POOIEITISA-N 2 1 219.332 1.492 20 30 BDEDMP C=C[C@@H](CO)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171622981 974113489 /nfs/dbraw/zinc/11/34/89/974113489.db2.gz FWQNHBXCVJKVOS-NSHDSACASA-N 2 1 240.391 1.774 20 30 BDEDMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)CCCC#N ZINC001172481853 974781516 /nfs/dbraw/zinc/78/15/16/974781516.db2.gz YOLMJPFSWOSVAA-SNVBAGLBSA-N 2 1 220.320 1.948 20 30 BDEDMP C[C@H](CCCC#N)[NH2+]C1CC[NH+](CCO)CC1 ZINC001172483047 974785674 /nfs/dbraw/zinc/78/56/74/974785674.db2.gz MLXKAXOJCWRZKO-GFCCVEGCSA-N 2 1 239.363 1.115 20 30 BDEDMP C[C@H](CCCC#N)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001172497900 974848140 /nfs/dbraw/zinc/84/81/40/974848140.db2.gz HIUKXLXPAMOIDI-MGPQQGTHSA-N 2 1 235.375 1.952 20 30 BDEDMP C=CCOC1CCC([N@H+]2CC[C@H](N)C2)CC1 ZINC001173312292 975225429 /nfs/dbraw/zinc/22/54/29/975225429.db2.gz XRKBXZCUFWGBKC-HIFPTAJRSA-N 2 1 224.348 1.533 20 30 BDEDMP C=CCOC1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001173312292 975225434 /nfs/dbraw/zinc/22/54/34/975225434.db2.gz XRKBXZCUFWGBKC-HIFPTAJRSA-N 2 1 224.348 1.533 20 30 BDEDMP C#CC[N@H+]1CCC[C@H](Nc2cc[nH+]cc2)C1 ZINC001337725913 978473566 /nfs/dbraw/zinc/47/35/66/978473566.db2.gz UCWRJTYTOPOXKG-ZDUSSCGKSA-N 2 1 215.300 1.013 20 30 BDEDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC#N ZINC001277943199 979038589 /nfs/dbraw/zinc/03/85/89/979038589.db2.gz PARBBZVQHAWCPX-YOGCLGLASA-N 2 1 207.321 1.505 20 30 BDEDMP C=CCCCCC[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235993463 979284983 /nfs/dbraw/zinc/28/49/83/979284983.db2.gz PSWBOLVFXZNGBX-PBWFPOADSA-N 2 1 238.375 1.638 20 30 BDEDMP C=CCO[C@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001342228568 979720262 /nfs/dbraw/zinc/72/02/62/979720262.db2.gz KTRQEFYGLDHPEV-KBPBESRZSA-N 2 1 238.375 1.748 20 30 BDEDMP C=CCO[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC001342228568 979720267 /nfs/dbraw/zinc/72/02/67/979720267.db2.gz KTRQEFYGLDHPEV-KBPBESRZSA-N 2 1 238.375 1.748 20 30 BDEDMP C=CCO[C@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC001342228568 979720275 /nfs/dbraw/zinc/72/02/75/979720275.db2.gz KTRQEFYGLDHPEV-KBPBESRZSA-N 2 1 238.375 1.748 20 30 BDEDMP C=C[C@](C)(O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001252570713 983825292 /nfs/dbraw/zinc/82/52/92/983825292.db2.gz AWMAHZRTNGRCEQ-STQMWFEESA-N 2 1 226.364 1.245 20 30 BDEDMP C=C[C@@H](O)C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001253598390 986226049 /nfs/dbraw/zinc/22/60/49/986226049.db2.gz SHXPICQIRUMZTA-HZSPNIEDSA-N 2 1 240.391 1.491 20 30 BDEDMP N#Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cs1 ZINC001580060009 986496602 /nfs/dbraw/zinc/49/66/02/986496602.db2.gz PHNVOMKVWGGTHE-KYZUINATSA-N 2 1 207.302 1.199 20 30 BDEDMP C=CCC[C@H](O)C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001245976478 987250390 /nfs/dbraw/zinc/25/03/90/987250390.db2.gz TYIUFPZCQNTHSG-SRVKXCTJSA-N 2 1 212.337 1.044 20 30 BDEDMP C=C[C@@](C)(O)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246017902 987301914 /nfs/dbraw/zinc/30/19/14/987301914.db2.gz CQMDQMVGABJSCJ-NWDGAFQWSA-N 2 1 212.337 1.127 20 30 BDEDMP C=C[C@](C)(O)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246018136 987303647 /nfs/dbraw/zinc/30/36/47/987303647.db2.gz AGLLFEJLHUABTK-OLZOCXBDSA-N 2 1 226.364 1.374 20 30 BDEDMP C=C[C@](C)(O)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246035140 987338738 /nfs/dbraw/zinc/33/87/38/987338738.db2.gz ZJMWZXCAXUZAPH-STQMWFEESA-N 2 1 224.348 1.141 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001246060173 987349960 /nfs/dbraw/zinc/34/99/60/987349960.db2.gz NFJNLAFYYOOPIE-HZSPNIEDSA-N 2 1 238.375 1.387 20 30 BDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)CC ZINC001246304642 987705960 /nfs/dbraw/zinc/70/59/60/987705960.db2.gz OBDIUKPMNXSBQP-NEPJUHHUSA-N 2 1 242.363 1.601 20 30 BDEDMP N#CCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001474482614 987734951 /nfs/dbraw/zinc/73/49/51/987734951.db2.gz AWPUIHKILHEINE-UHFFFAOYSA-N 2 1 233.359 1.897 20 30 BDEDMP N#CC1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246348924 987756528 /nfs/dbraw/zinc/75/65/28/987756528.db2.gz MWGMNINHFZATOB-HTAVTVPLSA-N 2 1 207.321 1.410 20 30 BDEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246357204 987764813 /nfs/dbraw/zinc/76/48/13/987764813.db2.gz KRHQPTKKMILUAC-IUODEOHRSA-N 2 1 243.354 1.831 20 30 BDEDMP N#CCC1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246358966 987767764 /nfs/dbraw/zinc/76/77/64/987767764.db2.gz SHSOVDZCWBTKCK-WXRRBKDZSA-N 2 1 221.348 1.800 20 30 BDEDMP C=CC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246364937 987771360 /nfs/dbraw/zinc/77/13/60/987771360.db2.gz VKACSUJLFXVTHB-MJBXVCDLSA-N 2 1 237.391 1.367 20 30 BDEDMP C=CCN1CCC[C@H]1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246364937 987771366 /nfs/dbraw/zinc/77/13/66/987771366.db2.gz VKACSUJLFXVTHB-MJBXVCDLSA-N 2 1 237.391 1.367 20 30 BDEDMP C=CCOC1CCC([N@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC001246527033 987882272 /nfs/dbraw/zinc/88/22/72/987882272.db2.gz DCAQMHJBZMDQES-RUXDESIVSA-N 2 1 238.375 1.923 20 30 BDEDMP C[C@]1([NH3+])CC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001246532812 987889426 /nfs/dbraw/zinc/88/94/26/987889426.db2.gz YJDXQIBLTNZZOR-BPCQOVAHSA-N 2 1 221.348 1.882 20 30 BDEDMP C[C@@H](CCCC#N)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246540373 987902806 /nfs/dbraw/zinc/90/28/06/987902806.db2.gz DNLPUGCYCHMQNG-STQMWFEESA-N 2 1 239.363 1.244 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]([NH3+])CC2)C1 ZINC001246546683 987928337 /nfs/dbraw/zinc/92/83/37/987928337.db2.gz NGDONQYGNGXBNI-WOPDTQHZSA-N 2 1 207.321 1.492 20 30 BDEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246567643 988030486 /nfs/dbraw/zinc/03/04/86/988030486.db2.gz MTZGQDWCIQLOIO-LALPHHSUSA-N 2 1 243.354 1.768 20 30 BDEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246567643 988030499 /nfs/dbraw/zinc/03/04/99/988030499.db2.gz MTZGQDWCIQLOIO-LALPHHSUSA-N 2 1 243.354 1.768 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246637302 988325347 /nfs/dbraw/zinc/32/53/47/988325347.db2.gz PZAZJCKMKXZXED-DDHJBXDOSA-N 2 1 205.305 1.115 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246637302 988325363 /nfs/dbraw/zinc/32/53/63/988325363.db2.gz PZAZJCKMKXZXED-DDHJBXDOSA-N 2 1 205.305 1.115 20 30 BDEDMP C=CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246781854 988460315 /nfs/dbraw/zinc/46/03/15/988460315.db2.gz YEQPCCMXETYTRN-PBWFPOADSA-N 2 1 235.375 1.073 20 30 BDEDMP N#CCC1CCC([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246856402 988580687 /nfs/dbraw/zinc/58/06/87/988580687.db2.gz XAKOJOUFZONXRG-GNRIBBGQSA-N 2 1 233.359 1.882 20 30 BDEDMP C=CCC[C@@H](C)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001258732554 991674861 /nfs/dbraw/zinc/67/48/61/991674861.db2.gz NDKQQQZEHGPIPE-CQSZACIVSA-N 2 1 239.407 1.520 20 30 BDEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001574835724 992925178 /nfs/dbraw/zinc/92/51/78/992925178.db2.gz FGMLRVIJUVGPLU-QWHCGFSZSA-N 2 1 208.349 1.884 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1CC[NH2+]C ZINC001574901212 992942940 /nfs/dbraw/zinc/94/29/40/992942940.db2.gz BYABTVDVPUXVIQ-UONOGXRCSA-N 2 1 240.391 1.778 20 30 BDEDMP C[C@@H](CCC#N)C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000602474484 349562396 /nfs/dbraw/zinc/56/23/96/349562396.db2.gz PQDZLFDLRLFHNV-RWMBFGLXSA-N 2 1 221.348 1.610 20 30 BDEDMP C[C@@H](CCC#N)C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000602474484 349562399 /nfs/dbraw/zinc/56/23/99/349562399.db2.gz PQDZLFDLRLFHNV-RWMBFGLXSA-N 2 1 221.348 1.610 20 30 BDEDMP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000602558464 349598456 /nfs/dbraw/zinc/59/84/56/349598456.db2.gz AUDHLPUVKIJTQP-UPJWGTAASA-N 2 1 223.364 1.999 20 30 BDEDMP Cn1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1C#N ZINC000276627293 398314166 /nfs/dbraw/zinc/31/41/66/398314166.db2.gz NBUMEZZBDLTGII-UHFFFAOYSA-N 2 1 244.342 1.248 20 30 BDEDMP N#CCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000158009245 398340808 /nfs/dbraw/zinc/34/08/08/398340808.db2.gz GHRPZACNHXDBBU-STQMWFEESA-N 2 1 221.348 1.897 20 30 BDEDMP N#Cc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000336322514 187230723 /nfs/dbraw/zinc/23/07/23/187230723.db2.gz PGIZUPOSJGRVMY-LSDHHAIUSA-N 2 1 241.338 1.600 20 30 BDEDMP N#Cc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000336322514 187230725 /nfs/dbraw/zinc/23/07/25/187230725.db2.gz PGIZUPOSJGRVMY-LSDHHAIUSA-N 2 1 241.338 1.600 20 30 BDEDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000309955153 343108720 /nfs/dbraw/zinc/10/87/20/343108720.db2.gz HWLCRCVJULLKIU-YNEHKIRRSA-N 2 1 221.348 1.610 20 30 BDEDMP C[NH2+]CCC[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000600750589 344368278 /nfs/dbraw/zinc/36/82/78/344368278.db2.gz MBIIXJDKBKBPOR-UHFFFAOYSA-N 2 1 243.354 1.720 20 30 BDEDMP C[NH2+]CCC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600750589 344368280 /nfs/dbraw/zinc/36/82/80/344368280.db2.gz MBIIXJDKBKBPOR-UHFFFAOYSA-N 2 1 243.354 1.720 20 30 BDEDMP Cc1nccn1CCC[N@H+](C)[C@H](C)CC#N ZINC000120520846 344893347 /nfs/dbraw/zinc/89/33/47/344893347.db2.gz UYPNBZWMOGMTAV-LLVKDONJSA-N 2 1 220.320 1.816 20 30 BDEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)CC#N ZINC000120520846 344893351 /nfs/dbraw/zinc/89/33/51/344893351.db2.gz UYPNBZWMOGMTAV-LLVKDONJSA-N 2 1 220.320 1.816 20 30 BDEDMP CC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc(C#N)cc1 ZINC000591580694 347677445 /nfs/dbraw/zinc/67/74/45/347677445.db2.gz MQTHEPCMOJWASA-GWCFXTLKSA-N 2 1 217.316 1.946 20 30 BDEDMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cccc(C#N)c1 ZINC000592984608 347836173 /nfs/dbraw/zinc/83/61/73/347836173.db2.gz DOIDWYRRCUBIMC-CYBMUJFWSA-N 2 1 217.316 1.631 20 30 BDEDMP N#Cc1cccc2c1C[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000593730980 347938165 /nfs/dbraw/zinc/93/81/65/347938165.db2.gz QHQFJNKVUNUAMA-GFCCVEGCSA-N 2 1 241.338 1.873 20 30 BDEDMP N#Cc1cccc2c1C[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000593730980 347938167 /nfs/dbraw/zinc/93/81/67/347938167.db2.gz QHQFJNKVUNUAMA-GFCCVEGCSA-N 2 1 241.338 1.873 20 30 BDEDMP C=CCOCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623487683 362911696 /nfs/dbraw/zinc/91/16/96/362911696.db2.gz MRFBEBLVKYUPGM-LBPRGKRZSA-N 2 1 226.364 1.651 20 30 BDEDMP C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000595887015 348389168 /nfs/dbraw/zinc/38/91/68/348389168.db2.gz BIOBDQVIBWTVNM-IUODEOHRSA-N 2 1 243.354 1.770 20 30 BDEDMP C[C@@](C[NH3+])([NH2+]CCc1ccc(C#N)cc1)C1CC1 ZINC000595891078 348390221 /nfs/dbraw/zinc/39/02/21/348390221.db2.gz KLDJDDJXFGSYIE-HNNXBMFYSA-N 2 1 243.354 1.818 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000278658191 351775713 /nfs/dbraw/zinc/77/57/13/351775713.db2.gz IOELMOJBRCXSBI-QWHCGFSZSA-N 2 1 232.331 1.864 20 30 BDEDMP CC[N@@H+](C)C[C@@H]1CCN(CC2(C#N)CC2)C1 ZINC000343318595 353667572 /nfs/dbraw/zinc/66/75/72/353667572.db2.gz YJXIYXGJAHNZFB-LBPRGKRZSA-N 2 1 221.348 1.564 20 30 BDEDMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000379428788 358483982 /nfs/dbraw/zinc/48/39/82/358483982.db2.gz DBVPOGOXEVIYNR-WDEREUQCSA-N 2 1 218.304 1.244 20 30 BDEDMP C=CC[NH+]1CCC(N[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000344269693 354187308 /nfs/dbraw/zinc/18/73/08/354187308.db2.gz CEVIGLVCPUXVCP-GXTWGEPZSA-N 2 1 237.391 1.177 20 30 BDEDMP C=CC[NH+]1CCC(N[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000344269693 354187311 /nfs/dbraw/zinc/18/73/11/354187311.db2.gz CEVIGLVCPUXVCP-GXTWGEPZSA-N 2 1 237.391 1.177 20 30 BDEDMP C=CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000336153947 134105278 /nfs/dbraw/zinc/10/52/78/134105278.db2.gz VPXUZVVYCWZWEH-ZDUSSCGKSA-N 2 1 237.391 1.273 20 30 BDEDMP C[N@H+]1CC=C(C[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000392291658 357146124 /nfs/dbraw/zinc/14/61/24/357146124.db2.gz LWUHBZDTWPTXPX-UHFFFAOYSA-N 2 1 248.355 1.366 20 30 BDEDMP C[N@@H+]1CC=C(C[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000392291658 357146129 /nfs/dbraw/zinc/14/61/29/357146129.db2.gz LWUHBZDTWPTXPX-UHFFFAOYSA-N 2 1 248.355 1.366 20 30 BDEDMP CCNC(=[NH2+])NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000267440996 535422930 /nfs/dbraw/zinc/42/29/30/535422930.db2.gz PDANMYUDKCRCCA-LBPRGKRZSA-N 2 1 248.374 1.431 20 30 BDEDMP CCNC(=[NH2+])NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000267440996 535422934 /nfs/dbraw/zinc/42/29/34/535422934.db2.gz PDANMYUDKCRCCA-LBPRGKRZSA-N 2 1 248.374 1.431 20 30 BDEDMP C=CCOCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429003794 201058527 /nfs/dbraw/zinc/05/85/27/201058527.db2.gz KVHWPJVJQNFKFO-AWEZNQCLSA-N 2 1 238.375 1.607 20 30 BDEDMP C=CCOCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429003794 201058528 /nfs/dbraw/zinc/05/85/28/201058528.db2.gz KVHWPJVJQNFKFO-AWEZNQCLSA-N 2 1 238.375 1.607 20 30 BDEDMP C=CCOCCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429003794 201058531 /nfs/dbraw/zinc/05/85/31/201058531.db2.gz KVHWPJVJQNFKFO-AWEZNQCLSA-N 2 1 238.375 1.607 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000382318159 367506711 /nfs/dbraw/zinc/50/67/11/367506711.db2.gz SGZZPBHGMFTONW-STQMWFEESA-N 2 1 222.376 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000382318159 367506713 /nfs/dbraw/zinc/50/67/13/367506713.db2.gz SGZZPBHGMFTONW-STQMWFEESA-N 2 1 222.376 1.966 20 30 BDEDMP Cc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1C#N ZINC000600707500 369559440 /nfs/dbraw/zinc/55/94/40/369559440.db2.gz HTMSSGDFUVDWON-UHFFFAOYSA-N 2 1 229.327 1.838 20 30 BDEDMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000600768462 369560752 /nfs/dbraw/zinc/56/07/52/369560752.db2.gz GYIQEBPGFIMUSA-ZJUUUORDSA-N 2 1 219.288 1.320 20 30 BDEDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000600768462 369560755 /nfs/dbraw/zinc/56/07/55/369560755.db2.gz GYIQEBPGFIMUSA-ZJUUUORDSA-N 2 1 219.288 1.320 20 30 BDEDMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000600768133 369562495 /nfs/dbraw/zinc/56/24/95/369562495.db2.gz CNPDENQHHOBTJU-RKDXNWHRSA-N 2 1 207.277 1.367 20 30 BDEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)o1 ZINC000600768876 369563484 /nfs/dbraw/zinc/56/34/84/369563484.db2.gz HIQPZESEJLINAE-SNVBAGLBSA-N 2 1 219.288 1.383 20 30 BDEDMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(C#N)o1 ZINC000600768131 369564659 /nfs/dbraw/zinc/56/46/59/369564659.db2.gz CNPDENQHHOBTJU-DTWKUNHWSA-N 2 1 207.277 1.367 20 30 BDEDMP C[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C[NH3+] ZINC000601326055 369621852 /nfs/dbraw/zinc/62/18/52/369621852.db2.gz ISOSRPDSLUMTEZ-SMDDNHRTSA-N 2 1 229.327 1.585 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C[NH3+] ZINC000601326055 369621859 /nfs/dbraw/zinc/62/18/59/369621859.db2.gz ISOSRPDSLUMTEZ-SMDDNHRTSA-N 2 1 229.327 1.585 20 30 BDEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCCC#N)CC[C@H]21 ZINC000227336437 134377847 /nfs/dbraw/zinc/37/78/47/134377847.db2.gz MLXGKGVAULIJDT-QWHCGFSZSA-N 2 1 221.348 1.706 20 30 BDEDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000126865803 384182710 /nfs/dbraw/zinc/18/27/10/384182710.db2.gz TWFUKUXTMNPMJH-RISCZKNCSA-N 2 1 229.327 1.727 20 30 BDEDMP C#CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363415833 134399052 /nfs/dbraw/zinc/39/90/52/134399052.db2.gz YNQYSWYVCNMESY-UPJWGTAASA-N 2 1 204.317 1.036 20 30 BDEDMP C#CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363415833 134399054 /nfs/dbraw/zinc/39/90/54/134399054.db2.gz YNQYSWYVCNMESY-UPJWGTAASA-N 2 1 204.317 1.036 20 30 BDEDMP C#CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363415833 134399056 /nfs/dbraw/zinc/39/90/56/134399056.db2.gz YNQYSWYVCNMESY-UPJWGTAASA-N 2 1 204.317 1.036 20 30 BDEDMP C#CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363415833 134399058 /nfs/dbraw/zinc/39/90/58/134399058.db2.gz YNQYSWYVCNMESY-UPJWGTAASA-N 2 1 204.317 1.036 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CO[C@@H](C)C2)CC1 ZINC000647181013 384554576 /nfs/dbraw/zinc/55/45/76/384554576.db2.gz FKMNFVUQSPTZPF-GXTWGEPZSA-N 2 1 238.375 1.794 20 30 BDEDMP N#CCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000158071858 385336611 /nfs/dbraw/zinc/33/66/11/385336611.db2.gz ZALARKRAEDTXJX-STQMWFEESA-N 2 1 233.359 1.897 20 30 BDEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])N(C)C)c1 ZINC000170910137 385454987 /nfs/dbraw/zinc/45/49/87/385454987.db2.gz CZCXXCHPYAKMKN-UHFFFAOYSA-N 2 1 248.374 1.515 20 30 BDEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336679681 385623705 /nfs/dbraw/zinc/62/37/05/385623705.db2.gz AMVRDNPKANCJDV-AVGNSLFASA-N 2 1 226.364 1.243 20 30 BDEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336679681 385623712 /nfs/dbraw/zinc/62/37/12/385623712.db2.gz AMVRDNPKANCJDV-AVGNSLFASA-N 2 1 226.364 1.243 20 30 BDEDMP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975017 386550088 /nfs/dbraw/zinc/55/00/88/386550088.db2.gz HQHVOXJZQQRIRF-CHWSQXEVSA-N 2 1 208.349 1.884 20 30 BDEDMP C=C(C)[C@H](CO)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000645187122 386850864 /nfs/dbraw/zinc/85/08/64/386850864.db2.gz XVKBGQKZFIJPNI-UONOGXRCSA-N 2 1 238.375 1.341 20 30 BDEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000645187122 386850868 /nfs/dbraw/zinc/85/08/68/386850868.db2.gz XVKBGQKZFIJPNI-UONOGXRCSA-N 2 1 238.375 1.341 20 30 BDEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000645187122 386850875 /nfs/dbraw/zinc/85/08/75/386850875.db2.gz XVKBGQKZFIJPNI-UONOGXRCSA-N 2 1 238.375 1.341 20 30 BDEDMP C=C(C)COCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400558353 387125670 /nfs/dbraw/zinc/12/56/70/387125670.db2.gz ZTZWKTMZLWVNOC-NEPJUHHUSA-N 2 1 212.337 1.309 20 30 BDEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423514078 387347984 /nfs/dbraw/zinc/34/79/84/387347984.db2.gz LZALHQFFFRMLQN-AVGNSLFASA-N 2 1 225.380 1.080 20 30 BDEDMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCC#N ZINC000423026901 387843310 /nfs/dbraw/zinc/84/33/10/387843310.db2.gz CNYDWQJTBAYUMB-OCCSQVGLSA-N 2 1 231.343 1.838 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000424299973 387960588 /nfs/dbraw/zinc/96/05/88/387960588.db2.gz WJMDWJIIMLVWDQ-XUXIUFHCSA-N 2 1 238.375 1.507 20 30 BDEDMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC[N@@H+]1C ZINC000424319598 387968893 /nfs/dbraw/zinc/96/88/93/387968893.db2.gz FFGWMNFMJTXGCY-WUHRBBMRSA-N 2 1 221.348 1.751 20 30 BDEDMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC[N@H+]1C ZINC000424319598 387968898 /nfs/dbraw/zinc/96/88/98/387968898.db2.gz FFGWMNFMJTXGCY-WUHRBBMRSA-N 2 1 221.348 1.751 20 30 BDEDMP C=CCCCC[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000453090211 387982380 /nfs/dbraw/zinc/98/23/80/387982380.db2.gz BQCRLZUAYNRFBH-QWHCGFSZSA-N 2 1 228.380 1.633 20 30 BDEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 ZINC000423231547 388016793 /nfs/dbraw/zinc/01/67/93/388016793.db2.gz GUIOCJXQSYBZPB-IJLUTSLNSA-N 2 1 207.321 1.410 20 30 BDEDMP C=C(C)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102184 388143416 /nfs/dbraw/zinc/14/34/16/388143416.db2.gz DQZWYNQIPGWGPC-UHFFFAOYSA-N 2 1 224.348 1.359 20 30 BDEDMP C#CC[N@H+](CC)CCCCn1cc[nH+]c1C ZINC000490871878 388257499 /nfs/dbraw/zinc/25/74/99/388257499.db2.gz CUGIGGVWBUTGSM-UHFFFAOYSA-N 2 1 219.332 1.927 20 30 BDEDMP C#CC[N@@H+](CC)CCCCn1cc[nH+]c1C ZINC000490871878 388257500 /nfs/dbraw/zinc/25/75/00/388257500.db2.gz CUGIGGVWBUTGSM-UHFFFAOYSA-N 2 1 219.332 1.927 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC12CC2 ZINC000491452953 388295720 /nfs/dbraw/zinc/29/57/20/388295720.db2.gz OQOUVFAEYLYMEK-ZDUSSCGKSA-N 2 1 220.360 1.864 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC12CC2 ZINC000491452953 388295721 /nfs/dbraw/zinc/29/57/21/388295721.db2.gz OQOUVFAEYLYMEK-ZDUSSCGKSA-N 2 1 220.360 1.864 20 30 BDEDMP C#C[C@H](C)N(C)CCC[N@@H+](C)[C@@H](C)C#C ZINC000491713272 388314119 /nfs/dbraw/zinc/31/41/19/388314119.db2.gz ZSZPVQXZUSSRFR-STQMWFEESA-N 2 1 206.333 1.284 20 30 BDEDMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000271771918 388403075 /nfs/dbraw/zinc/40/30/75/388403075.db2.gz BUMVYHPVMAYWBQ-UHFFFAOYSA-N 2 1 231.299 1.503 20 30 BDEDMP C=CC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000187011055 388604767 /nfs/dbraw/zinc/60/47/67/388604767.db2.gz HLSNXKBLSOCKJT-ZIAGYGMSSA-N 2 1 240.391 1.899 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC1(C)C ZINC000328153330 388557479 /nfs/dbraw/zinc/55/74/79/388557479.db2.gz FZGIEOPPZDFNAG-GFCCVEGCSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC1(C)C ZINC000328153330 388557483 /nfs/dbraw/zinc/55/74/83/388557483.db2.gz FZGIEOPPZDFNAG-GFCCVEGCSA-N 2 1 208.349 1.720 20 30 BDEDMP COc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1C#N ZINC000414799745 388666503 /nfs/dbraw/zinc/66/65/03/388666503.db2.gz GZCOVVRCXSWYRE-UHFFFAOYSA-N 2 1 233.315 1.394 20 30 BDEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)CC2 ZINC000423336696 388691605 /nfs/dbraw/zinc/69/16/05/388691605.db2.gz XZKKIIWBJUODFN-GJZGRUSLSA-N 2 1 241.338 1.872 20 30 BDEDMP C#C[C@@H](CC)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000229895748 388802699 /nfs/dbraw/zinc/80/26/99/388802699.db2.gz KFRRBTMIZYJIOS-LBPRGKRZSA-N 2 1 208.349 1.861 20 30 BDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000371185435 134227598 /nfs/dbraw/zinc/22/75/98/134227598.db2.gz SCDGCHSWDJHZQB-DZGCQCFKSA-N 2 1 232.371 1.958 20 30 BDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000371185435 134227599 /nfs/dbraw/zinc/22/75/99/134227599.db2.gz SCDGCHSWDJHZQB-DZGCQCFKSA-N 2 1 232.371 1.958 20 30 BDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000371185435 134227600 /nfs/dbraw/zinc/22/76/00/134227600.db2.gz SCDGCHSWDJHZQB-DZGCQCFKSA-N 2 1 232.371 1.958 20 30 BDEDMP C[N@H+]1CCC[C@H]2C[NH+](CCCC#N)CC[C@H]21 ZINC000227336437 134377845 /nfs/dbraw/zinc/37/78/45/134377845.db2.gz MLXGKGVAULIJDT-QWHCGFSZSA-N 2 1 221.348 1.706 20 30 BDEDMP C[NH+]1CCC[C@H]2C[N@H+](CCCC#N)CC[C@H]21 ZINC000227336437 134377846 /nfs/dbraw/zinc/37/78/46/134377846.db2.gz MLXGKGVAULIJDT-QWHCGFSZSA-N 2 1 221.348 1.706 20 30 BDEDMP CC#CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248393966 135002153 /nfs/dbraw/zinc/00/21/53/135002153.db2.gz MMRXMLZAHUQEPP-KBPBESRZSA-N 2 1 220.360 1.816 20 30 BDEDMP CC#CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248393966 135002154 /nfs/dbraw/zinc/00/21/54/135002154.db2.gz MMRXMLZAHUQEPP-KBPBESRZSA-N 2 1 220.360 1.816 20 30 BDEDMP CC#CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248393966 135002156 /nfs/dbraw/zinc/00/21/56/135002156.db2.gz MMRXMLZAHUQEPP-KBPBESRZSA-N 2 1 220.360 1.816 20 30 BDEDMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000338021356 135028425 /nfs/dbraw/zinc/02/84/25/135028425.db2.gz TUNDAVWGKFZWJV-CHWSQXEVSA-N 2 1 232.331 1.864 20 30 BDEDMP C=CCNC(=[NH2+])NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000261689504 135246100 /nfs/dbraw/zinc/24/61/00/135246100.db2.gz BAHGCPWFOPVRFQ-RYUDHWBXSA-N 2 1 238.379 1.197 20 30 BDEDMP CCNC(N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)=[NH+]CC ZINC000261836200 135256216 /nfs/dbraw/zinc/25/62/16/135256216.db2.gz WBVKUJVWBCSXMB-CMPLNLGQSA-N 2 1 238.379 1.044 20 30 BDEDMP C=CCNC(=[NH2+])NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000261878738 135258702 /nfs/dbraw/zinc/25/87/02/135258702.db2.gz QOAIMAAVWVCRND-NEPJUHHUSA-N 2 1 238.379 1.340 20 30 BDEDMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC(C)(C)C ZINC000262420225 135296166 /nfs/dbraw/zinc/29/61/66/135296166.db2.gz BCHYTGDDLNZOQC-NSHDSACASA-N 2 1 240.395 1.564 20 30 BDEDMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC1CCC1 ZINC000263022929 135327717 /nfs/dbraw/zinc/32/77/17/135327717.db2.gz AEUKTPRLRKEOEN-LBPRGKRZSA-N 2 1 238.379 1.318 20 30 BDEDMP [NH2+]=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1CCC1 ZINC000263061325 135329697 /nfs/dbraw/zinc/32/96/97/135329697.db2.gz FPJODKODKHUTDF-GFCCVEGCSA-N 2 1 236.363 1.024 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)CCC(C)C ZINC000491655795 398054793 /nfs/dbraw/zinc/05/47/93/398054793.db2.gz ANANMKTXKLPYMQ-AWEZNQCLSA-N 2 1 240.391 1.328 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)CCC(C)C ZINC000491655795 398054797 /nfs/dbraw/zinc/05/47/97/398054797.db2.gz ANANMKTXKLPYMQ-AWEZNQCLSA-N 2 1 240.391 1.328 20 30 BDEDMP C=CCOCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000658210102 411294455 /nfs/dbraw/zinc/29/44/55/411294455.db2.gz OCZLOMIAJQYUBI-OLZOCXBDSA-N 2 1 226.364 1.651 20 30 BDEDMP C=CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H](C)COC ZINC000661239483 411740658 /nfs/dbraw/zinc/74/06/58/411740658.db2.gz GPPPHXGMTLJINB-KGLIPLIRSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H](C)COC ZINC000661239483 411740662 /nfs/dbraw/zinc/74/06/62/411740662.db2.gz GPPPHXGMTLJINB-KGLIPLIRSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H](C)COC ZINC000661239483 411740666 /nfs/dbraw/zinc/74/06/66/411740666.db2.gz GPPPHXGMTLJINB-KGLIPLIRSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H](C)COC ZINC000661239483 411740667 /nfs/dbraw/zinc/74/06/67/411740667.db2.gz GPPPHXGMTLJINB-KGLIPLIRSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000662299559 412085988 /nfs/dbraw/zinc/08/59/88/412085988.db2.gz ROMXOZKCXFVQHW-CHWSQXEVSA-N 2 1 208.349 1.884 20 30 BDEDMP C=CCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658115325 487547681 /nfs/dbraw/zinc/54/76/81/487547681.db2.gz UREZNSODACRSQL-AWEZNQCLSA-N 2 1 238.375 1.796 20 30 BDEDMP COCC#CCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000677820216 487518335 /nfs/dbraw/zinc/51/83/35/487518335.db2.gz JJAZMCJPQIJYCJ-KBPBESRZSA-N 2 1 236.359 1.052 20 30 BDEDMP COCC#CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000677820216 487518341 /nfs/dbraw/zinc/51/83/41/487518341.db2.gz JJAZMCJPQIJYCJ-KBPBESRZSA-N 2 1 236.359 1.052 20 30 BDEDMP COCC#CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000677820216 487518347 /nfs/dbraw/zinc/51/83/47/487518347.db2.gz JJAZMCJPQIJYCJ-KBPBESRZSA-N 2 1 236.359 1.052 20 30 BDEDMP COCC#CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000677820216 487518352 /nfs/dbraw/zinc/51/83/52/487518352.db2.gz JJAZMCJPQIJYCJ-KBPBESRZSA-N 2 1 236.359 1.052 20 30 BDEDMP COCC#CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000677820216 487518358 /nfs/dbraw/zinc/51/83/58/487518358.db2.gz JJAZMCJPQIJYCJ-KBPBESRZSA-N 2 1 236.359 1.052 20 30 BDEDMP C=CCOCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000303552216 490167871 /nfs/dbraw/zinc/16/78/71/490167871.db2.gz XARKEQDEORXRFA-CHWSQXEVSA-N 2 1 224.348 1.405 20 30 BDEDMP C=CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000358230182 534798448 /nfs/dbraw/zinc/79/84/48/534798448.db2.gz GYZVJVBARXTXOX-KGLIPLIRSA-N 2 1 238.375 1.387 20 30 BDEDMP C=CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000358230182 534798458 /nfs/dbraw/zinc/79/84/58/534798458.db2.gz GYZVJVBARXTXOX-KGLIPLIRSA-N 2 1 238.375 1.387 20 30 BDEDMP C=CCNC(=[NH2+])NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000262909341 534845208 /nfs/dbraw/zinc/84/52/08/534845208.db2.gz YJCJXVRZMGUWQJ-LBPRGKRZSA-N 2 1 236.363 1.094 20 30 BDEDMP C=CCOCCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000348059663 534873563 /nfs/dbraw/zinc/87/35/63/534873563.db2.gz WLFAOSUEDXSHFI-CQSZACIVSA-N 2 1 240.391 1.853 20 30 BDEDMP C=CCOCCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000348059663 534873568 /nfs/dbraw/zinc/87/35/68/534873568.db2.gz WLFAOSUEDXSHFI-CQSZACIVSA-N 2 1 240.391 1.853 20 30 BDEDMP C=CCOCCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000348059663 534873569 /nfs/dbraw/zinc/87/35/69/534873569.db2.gz WLFAOSUEDXSHFI-CQSZACIVSA-N 2 1 240.391 1.853 20 30 BDEDMP C=CCOCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000338996942 534879071 /nfs/dbraw/zinc/87/90/71/534879071.db2.gz LLEGKSFMFMTFSK-LBPRGKRZSA-N 2 1 212.337 1.073 20 30 BDEDMP CC(C)CNC(=[NH2+])NC[C@H](C)[N@@H+](C)C1CC1 ZINC000104192943 582792267 /nfs/dbraw/zinc/79/22/67/582792267.db2.gz GDNZULAXBPLCER-JTQLQIEISA-N 2 1 226.368 1.029 20 30 BDEDMP C#C[C@H]([NH2+]CCCn1cc[nH+]c1C)[C@H]1CCCO1 ZINC000775792704 583104682 /nfs/dbraw/zinc/10/46/82/583104682.db2.gz SMFUWTQYXZZTLG-UONOGXRCSA-N 2 1 247.342 1.352 20 30 BDEDMP C=CCCC[C@H]([NH3+])c1nc(C[C@H](C)[NH2+]C)no1 ZINC000900010116 584265491 /nfs/dbraw/zinc/26/54/91/584265491.db2.gz NQMWFCHOWOCXCS-UWVGGRQHSA-N 2 1 238.335 1.576 20 30 BDEDMP N#CC1CCC(C[N@@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000903421295 584763872 /nfs/dbraw/zinc/76/38/72/584763872.db2.gz KRCXOMQKPQNMHP-RUXDESIVSA-N 2 1 235.375 1.987 20 30 BDEDMP N#CC1CCC(C[N@H+]2CCC[NH2+]CC2)CC1 ZINC000903422326 584764218 /nfs/dbraw/zinc/76/42/18/584764218.db2.gz YHYSDLWZRDBZAQ-UHFFFAOYSA-N 2 1 221.348 1.612 20 30 BDEDMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC1CCC(C#N)CC1)C2 ZINC000903479016 584778126 /nfs/dbraw/zinc/77/81/26/584778126.db2.gz QASUIALTDTUXNS-PFSRBDOWSA-N 2 1 247.386 1.858 20 30 BDEDMP C[C@@H]1CC(=NNCC[NH+]2CCCCC2)C[N@@H+]1C ZINC000761806332 585418926 /nfs/dbraw/zinc/41/89/26/585418926.db2.gz YMRJXQLRGKLQBD-GFCCVEGCSA-N 2 1 238.379 1.142 20 30 BDEDMP C[C@@H]1CC(=NNCC[NH+]2CCCCC2)C[N@H+]1C ZINC000761806332 585418927 /nfs/dbraw/zinc/41/89/27/585418927.db2.gz YMRJXQLRGKLQBD-GFCCVEGCSA-N 2 1 238.379 1.142 20 30 BDEDMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1C#N ZINC000817915162 586839037 /nfs/dbraw/zinc/83/90/37/586839037.db2.gz HXKKPAWSCGFINN-QWHCGFSZSA-N 2 1 245.326 1.536 20 30 BDEDMP C#CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000830345822 587546878 /nfs/dbraw/zinc/54/68/78/587546878.db2.gz USRXEQVYBLHWEY-CQSZACIVSA-N 2 1 220.360 1.816 20 30 BDEDMP C#C[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000847021316 588302864 /nfs/dbraw/zinc/30/28/64/588302864.db2.gz JNAZGGLJHLUYEL-KBPBESRZSA-N 2 1 220.360 1.816 20 30 BDEDMP C#C[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000847021316 588302865 /nfs/dbraw/zinc/30/28/65/588302865.db2.gz JNAZGGLJHLUYEL-KBPBESRZSA-N 2 1 220.360 1.816 20 30 BDEDMP C#C[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000847021316 588302866 /nfs/dbraw/zinc/30/28/66/588302866.db2.gz JNAZGGLJHLUYEL-KBPBESRZSA-N 2 1 220.360 1.816 20 30 BDEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000848996366 588429137 /nfs/dbraw/zinc/42/91/37/588429137.db2.gz QXBUAIVWNFVNAE-LBPRGKRZSA-N 2 1 238.379 1.407 20 30 BDEDMP C#C[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000862362796 589202027 /nfs/dbraw/zinc/20/20/27/589202027.db2.gz GCIPOWHENWAWPM-VXGBXAGGSA-N 2 1 208.349 1.861 20 30 BDEDMP C#C[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000862362796 589202028 /nfs/dbraw/zinc/20/20/28/589202028.db2.gz GCIPOWHENWAWPM-VXGBXAGGSA-N 2 1 208.349 1.861 20 30 BDEDMP C[NH+]1CCN(N=C2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000863064655 589253419 /nfs/dbraw/zinc/25/34/19/589253419.db2.gz MOQJWCGRGOLBEO-UHFFFAOYSA-N 2 1 238.379 1.094 20 30 BDEDMP C[NH+]1CCN(N=C2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000863064655 589253420 /nfs/dbraw/zinc/25/34/20/589253420.db2.gz MOQJWCGRGOLBEO-UHFFFAOYSA-N 2 1 238.379 1.094 20 30 BDEDMP C[NH+](C)[C@@H]1CCCC(=[NH+]n2cccn2)C1 ZINC000863163800 589266003 /nfs/dbraw/zinc/26/60/03/589266003.db2.gz PPXCMQZKBPHLDE-LLVKDONJSA-N 2 1 206.293 1.591 20 30 BDEDMP C=CC[C@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000879001055 590673787 /nfs/dbraw/zinc/67/37/87/590673787.db2.gz OEMIARWSXBPHDK-UONOGXRCSA-N 2 1 240.391 1.994 20 30 BDEDMP CCC#C[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879577284 590813517 /nfs/dbraw/zinc/81/35/17/590813517.db2.gz HZTIXUZCBQKWKQ-MELADBBJSA-N 2 1 220.360 1.814 20 30 BDEDMP CCC#C[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879577284 590813519 /nfs/dbraw/zinc/81/35/19/590813519.db2.gz HZTIXUZCBQKWKQ-MELADBBJSA-N 2 1 220.360 1.814 20 30 BDEDMP CCC#C[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879577284 590813520 /nfs/dbraw/zinc/81/35/20/590813520.db2.gz HZTIXUZCBQKWKQ-MELADBBJSA-N 2 1 220.360 1.814 20 30 BDEDMP CCC#C[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879577284 590813522 /nfs/dbraw/zinc/81/35/22/590813522.db2.gz HZTIXUZCBQKWKQ-MELADBBJSA-N 2 1 220.360 1.814 20 30 BDEDMP C=CCOCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579532 590816305 /nfs/dbraw/zinc/81/63/05/590816305.db2.gz NHAKAXYPUUPQGU-OLZOCXBDSA-N 2 1 224.348 1.215 20 30 BDEDMP C=CCOCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579532 590816307 /nfs/dbraw/zinc/81/63/07/590816307.db2.gz NHAKAXYPUUPQGU-OLZOCXBDSA-N 2 1 224.348 1.215 20 30 BDEDMP C=CCOCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579532 590816311 /nfs/dbraw/zinc/81/63/11/590816311.db2.gz NHAKAXYPUUPQGU-OLZOCXBDSA-N 2 1 224.348 1.215 20 30 BDEDMP C=CCOCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579532 590816314 /nfs/dbraw/zinc/81/63/14/590816314.db2.gz NHAKAXYPUUPQGU-OLZOCXBDSA-N 2 1 224.348 1.215 20 30 BDEDMP C=C(C)C[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000883390200 591641499 /nfs/dbraw/zinc/64/14/99/591641499.db2.gz HYSVQTNBKJHIQW-FRRDWIJNSA-N 2 1 226.364 1.386 20 30 BDEDMP C=C(C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000883390200 591641501 /nfs/dbraw/zinc/64/15/01/591641501.db2.gz HYSVQTNBKJHIQW-FRRDWIJNSA-N 2 1 226.364 1.386 20 30 BDEDMP C#CCN1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000886661431 592293090 /nfs/dbraw/zinc/29/30/90/592293090.db2.gz VAHWMILKNIYQCK-KKUMJFAQSA-N 2 1 249.402 1.156 20 30 BDEDMP C#CCN1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000886661431 592293091 /nfs/dbraw/zinc/29/30/91/592293091.db2.gz VAHWMILKNIYQCK-KKUMJFAQSA-N 2 1 249.402 1.156 20 30 BDEDMP N#C[C@@H]1CC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925705505 634384831 /nfs/dbraw/zinc/38/48/31/634384831.db2.gz KOHXWDURYUKTEJ-VTAXGKEESA-N 2 1 231.343 1.265 20 30 BDEDMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)C[C@]2(C)C1 ZINC000933732530 631494918 /nfs/dbraw/zinc/49/49/18/631494918.db2.gz RAHZRJHKRYFSMI-DGAVXFQQSA-N 2 1 233.359 1.562 20 30 BDEDMP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)C[C@]2(C)C1 ZINC000933732530 631494923 /nfs/dbraw/zinc/49/49/23/631494923.db2.gz RAHZRJHKRYFSMI-DGAVXFQQSA-N 2 1 233.359 1.562 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)C[C@]2(C)C1 ZINC000933732530 631494929 /nfs/dbraw/zinc/49/49/29/631494929.db2.gz RAHZRJHKRYFSMI-DGAVXFQQSA-N 2 1 233.359 1.562 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C#N)C3)C[C@]2(C)C1 ZINC000933732530 631494933 /nfs/dbraw/zinc/49/49/33/631494933.db2.gz RAHZRJHKRYFSMI-DGAVXFQQSA-N 2 1 233.359 1.562 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CSC[C@@H]1C ZINC000327999038 633213531 /nfs/dbraw/zinc/21/35/31/633213531.db2.gz NJXDDQMIOLBDAI-NWDGAFQWSA-N 2 1 226.389 1.283 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CSC[C@@H]1C ZINC000327999038 633213533 /nfs/dbraw/zinc/21/35/33/633213533.db2.gz NJXDDQMIOLBDAI-NWDGAFQWSA-N 2 1 226.389 1.283 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]CC1(SC)CCC1 ZINC000328061140 633228669 /nfs/dbraw/zinc/22/86/69/633228669.db2.gz BKEJHGUWADIGJH-UHFFFAOYSA-N 2 1 240.416 1.817 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]CC1(SC)CCC1 ZINC000328061140 633228676 /nfs/dbraw/zinc/22/86/76/633228676.db2.gz BKEJHGUWADIGJH-UHFFFAOYSA-N 2 1 240.416 1.817 20 30 BDEDMP CCN(CC)C(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000303876828 635934343 /nfs/dbraw/zinc/93/43/43/635934343.db2.gz FBBTYRSNFKWITR-LLVKDONJSA-N 2 1 238.379 1.127 20 30 BDEDMP C[N@H+](Cc1cc(C#N)cs1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904470248 637423829 /nfs/dbraw/zinc/42/38/29/637423829.db2.gz VUKGMQWEFXBTTO-JGZJWPJOSA-N 2 1 235.356 1.789 20 30 BDEDMP C#CC[N@@H+](CCn1cc[nH+]c1C)C(C)(C)C ZINC000932461827 640529399 /nfs/dbraw/zinc/52/93/99/640529399.db2.gz JITLXBPCBYOTHK-UHFFFAOYSA-N 2 1 219.332 1.925 20 30 BDEDMP C#CC[N@H+](CCn1cc[nH+]c1C)C(C)(C)C ZINC000932461827 640529407 /nfs/dbraw/zinc/52/94/07/640529407.db2.gz JITLXBPCBYOTHK-UHFFFAOYSA-N 2 1 219.332 1.925 20 30 BDEDMP C=CC[C@H]1CC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000934465060 641161558 /nfs/dbraw/zinc/16/15/58/641161558.db2.gz SRSSAMZKPMDKCQ-QWHCGFSZSA-N 2 1 226.364 1.338 20 30 BDEDMP C=CC[C@H]1CC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000934465060 641161563 /nfs/dbraw/zinc/16/15/63/641161563.db2.gz SRSSAMZKPMDKCQ-QWHCGFSZSA-N 2 1 226.364 1.338 20 30 BDEDMP C=CC[C@H]1CC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000934465060 641161570 /nfs/dbraw/zinc/16/15/70/641161570.db2.gz SRSSAMZKPMDKCQ-QWHCGFSZSA-N 2 1 226.364 1.338 20 30 BDEDMP C=CC[C@H]1CC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000934465060 641161577 /nfs/dbraw/zinc/16/15/77/641161577.db2.gz SRSSAMZKPMDKCQ-QWHCGFSZSA-N 2 1 226.364 1.338 20 30 BDEDMP CC(C)C[N@H+]1CCC[C@H](CNC(=[NH2+])N(C)C)C1 ZINC000157385655 641618381 /nfs/dbraw/zinc/61/83/81/641618381.db2.gz HDTNSXXTOMTFKD-GFCCVEGCSA-N 2 1 240.395 1.231 20 30 BDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC=C(C)C ZINC000191149830 641903547 /nfs/dbraw/zinc/90/35/47/641903547.db2.gz ALEHTJIQDSUNGH-GFCCVEGCSA-N 2 1 238.379 1.341 20 30 BDEDMP C=CCC[C@H](O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000923334025 644355290 /nfs/dbraw/zinc/35/52/90/644355290.db2.gz GMADXTLXQQPCML-OLZOCXBDSA-N 2 1 226.364 1.387 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000923343033 644362674 /nfs/dbraw/zinc/36/26/74/644362674.db2.gz BFMAZFVGGRYVDQ-AGIUHOORSA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@H](O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000923369899 644381498 /nfs/dbraw/zinc/38/14/98/644381498.db2.gz NICXRCDURSTKFJ-FVCCEPFGSA-N 2 1 226.364 1.290 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000923426574 644422235 /nfs/dbraw/zinc/42/22/35/644422235.db2.gz OGGWPKLQXNBAEL-ZDUSSCGKSA-N 2 1 238.375 1.532 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CC[C@H]1C[NH3+] ZINC000923490336 644465536 /nfs/dbraw/zinc/46/55/36/644465536.db2.gz MXZSQVQZMONFQG-QWRGUYRKSA-N 2 1 233.315 1.568 20 30 BDEDMP C=C(Cl)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923491961 644468397 /nfs/dbraw/zinc/46/83/97/644468397.db2.gz VJSZYUNUOHOSAA-WPRPVWTQSA-N 2 1 202.729 1.656 20 30 BDEDMP C#CCSCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246280698 644577999 /nfs/dbraw/zinc/57/79/99/644577999.db2.gz BNBNARCWVHBWFK-OLZOCXBDSA-N 2 1 238.400 1.569 20 30 BDEDMP CC(C)[N@@H+](C)CCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000303980625 644863045 /nfs/dbraw/zinc/86/30/45/644863045.db2.gz OHGMRGAKBQTFNP-GFCCVEGCSA-N 2 1 240.395 1.373 20 30 BDEDMP C=CCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000849023911 645446628 /nfs/dbraw/zinc/44/66/28/645446628.db2.gz LLOHJRGQRXBBJD-LBPRGKRZSA-N 2 1 238.379 1.551 20 30 BDEDMP C=CCC[C@H](CO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925694491 646420001 /nfs/dbraw/zinc/42/00/01/646420001.db2.gz TWHRTBWMVYERDF-VXGBXAGGSA-N 2 1 224.348 1.188 20 30 BDEDMP C=C(C)C[C@@H](CO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000925772792 646473881 /nfs/dbraw/zinc/47/38/81/646473881.db2.gz UQNRHBFOCQTDAC-SRVKXCTJSA-N 2 1 212.337 1.044 20 30 BDEDMP Cc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1C#N ZINC000925836504 646504427 /nfs/dbraw/zinc/50/44/27/646504427.db2.gz AZPDFUXDQHGPMM-UHFFFAOYSA-N 2 1 229.327 1.708 20 30 BDEDMP CC[NH+]1CCC([N@H+](C)CCO[C@H](C)C#N)CC1 ZINC000383035605 710841722 /nfs/dbraw/zinc/84/17/22/710841722.db2.gz FNWLPJXWCRKTTB-GFCCVEGCSA-N 2 1 239.363 1.331 20 30 BDEDMP CC[NH+]1CCC([N@@H+](C)CCO[C@H](C)C#N)CC1 ZINC000383035605 710841725 /nfs/dbraw/zinc/84/17/25/710841725.db2.gz FNWLPJXWCRKTTB-GFCCVEGCSA-N 2 1 239.363 1.331 20 30 BDEDMP C#CC[N@@H+](C)CCCN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000392840301 711153370 /nfs/dbraw/zinc/15/33/70/711153370.db2.gz YUOJHVUIAOVAFW-GJZGRUSLSA-N 3 1 249.402 1.158 20 30 BDEDMP C#CC[NH+](C)CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000392840301 711153372 /nfs/dbraw/zinc/15/33/72/711153372.db2.gz YUOJHVUIAOVAFW-GJZGRUSLSA-N 2 1 249.402 1.158 20 30 BDEDMP C#CC[NH+](C)CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000392840301 711153374 /nfs/dbraw/zinc/15/33/74/711153374.db2.gz YUOJHVUIAOVAFW-GJZGRUSLSA-N 2 1 249.402 1.158 20 30 BDEDMP C#CCN(C)CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000392840301 711153376 /nfs/dbraw/zinc/15/33/76/711153376.db2.gz YUOJHVUIAOVAFW-GJZGRUSLSA-N 2 1 249.402 1.158 20 30 BDEDMP C#CCN(C)CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000392840301 711153379 /nfs/dbraw/zinc/15/33/79/711153379.db2.gz YUOJHVUIAOVAFW-GJZGRUSLSA-N 2 1 249.402 1.158 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]CC1(C)CCC1 ZINC000382259950 711523113 /nfs/dbraw/zinc/52/31/13/711523113.db2.gz WVTLBBLAJIHEQZ-UHFFFAOYSA-N 2 1 208.349 1.721 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]CC1(C)CCC1 ZINC000382259950 711523116 /nfs/dbraw/zinc/52/31/16/711523116.db2.gz WVTLBBLAJIHEQZ-UHFFFAOYSA-N 2 1 208.349 1.721 20 30 BDEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000723711938 711535973 /nfs/dbraw/zinc/53/59/73/711535973.db2.gz KXJFTIWJJSCTDV-GFCCVEGCSA-N 2 1 229.327 1.729 20 30 BDEDMP C[N@@H+]1C[C@@H]2C[NH+](CCCC#N)C[C@]2(C)C1 ZINC000702473770 712054513 /nfs/dbraw/zinc/05/45/13/712054513.db2.gz ZFQVKNYKIPKYNN-NEPJUHHUSA-N 2 1 207.321 1.174 20 30 BDEDMP C[N@H+]1C[C@@H]2C[NH+](CCCC#N)C[C@]2(C)C1 ZINC000702473770 712054515 /nfs/dbraw/zinc/05/45/15/712054515.db2.gz ZFQVKNYKIPKYNN-NEPJUHHUSA-N 2 1 207.321 1.174 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@H+](CCCC#N)C[C@]2(C)C1 ZINC000702473770 712054518 /nfs/dbraw/zinc/05/45/18/712054518.db2.gz ZFQVKNYKIPKYNN-NEPJUHHUSA-N 2 1 207.321 1.174 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@@H+](CCCC#N)C[C@]2(C)C1 ZINC000702473770 712054521 /nfs/dbraw/zinc/05/45/21/712054521.db2.gz ZFQVKNYKIPKYNN-NEPJUHHUSA-N 2 1 207.321 1.174 20 30 BDEDMP C#CCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705640067 712134210 /nfs/dbraw/zinc/13/42/10/712134210.db2.gz AISBZDVJGUASCJ-STQMWFEESA-N 2 1 206.333 1.283 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CC(SC)C1 ZINC000706805556 712156706 /nfs/dbraw/zinc/15/67/06/712156706.db2.gz PZAUHYVSTTXZJF-UHFFFAOYSA-N 2 1 226.389 1.425 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C1CC(SC)C1 ZINC000706805556 712156708 /nfs/dbraw/zinc/15/67/08/712156708.db2.gz PZAUHYVSTTXZJF-UHFFFAOYSA-N 2 1 226.389 1.425 20 30 BDEDMP SCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961668 962887365 /nfs/dbraw/zinc/88/73/65/962887365.db2.gz MQWBORMPPKCMFN-YHWZYXNKSA-N 2 1 240.416 1.911 20 30 BDEDMP C=C[C@@](C)(O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001252579985 968831954 /nfs/dbraw/zinc/83/19/54/968831954.db2.gz ZPBUPPBIHAVMOW-XJFOESAGSA-N 2 1 238.375 1.528 20 30 BDEDMP C=CCC[C@@H](O)C[NH2+]CCCc1[nH]cc[nH+]1 ZINC001252624787 968886409 /nfs/dbraw/zinc/88/64/09/968886409.db2.gz MCLATJPFQAKPAI-LLVKDONJSA-N 2 1 223.320 1.259 20 30 BDEDMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254667263 969775556 /nfs/dbraw/zinc/77/55/56/969775556.db2.gz BREJDGJLDMMSTI-ZIAGYGMSSA-N 2 1 235.375 1.952 20 30 BDEDMP C=C[C@@H](CO)[NH2+][C@@H](C)CC[NH+](CC)CC ZINC001255947994 970565429 /nfs/dbraw/zinc/56/54/29/970565429.db2.gz CAQLMHAQWYVJLG-RYUDHWBXSA-N 2 1 214.353 1.243 20 30 BDEDMP CC1(C#N)CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001173584875 975425912 /nfs/dbraw/zinc/42/59/12/975425912.db2.gz PNGRYOKXTBDYTG-UNXYVOJBSA-N 2 1 207.321 1.492 20 30 BDEDMP CC1(C#N)CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001173584875 975425927 /nfs/dbraw/zinc/42/59/27/975425927.db2.gz PNGRYOKXTBDYTG-UNXYVOJBSA-N 2 1 207.321 1.492 20 30 BDEDMP C=CCCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236313998 979522957 /nfs/dbraw/zinc/52/29/57/979522957.db2.gz DPUSOEWGVJOISX-BETUJISGSA-N 2 1 208.349 1.884 20 30 BDEDMP C=C1C[C@@H]2CC([NH2+][C@@H]3C[C@H]3[NH3+])C[C@H](C1)C2 ZINC001257888369 971522062 /nfs/dbraw/zinc/52/20/62/971522062.db2.gz IJAIWWFPRKVVMQ-NRUFJFEESA-N 2 1 206.333 1.811 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246019031 972116369 /nfs/dbraw/zinc/11/63/69/972116369.db2.gz HEOVJTRNAXEQPI-OLZOCXBDSA-N 2 1 244.354 1.466 20 30 BDEDMP C[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)CC[NH2+]1 ZINC001246285575 972259381 /nfs/dbraw/zinc/25/93/81/972259381.db2.gz GVRHEMWNNVKUQA-ZFWWWQNUSA-N 2 1 228.339 1.768 20 30 BDEDMP C=CCC[C@@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246401712 972311481 /nfs/dbraw/zinc/31/14/81/972311481.db2.gz NYXUMQSVIBFWQW-MNOVXSKESA-N 2 1 228.336 1.211 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403701396 958811968 /nfs/dbraw/zinc/81/19/68/958811968.db2.gz UOOFWXJVRAAERZ-KFWWJZLASA-N 2 1 234.387 1.967 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403701396 958811971 /nfs/dbraw/zinc/81/19/71/958811971.db2.gz UOOFWXJVRAAERZ-KFWWJZLASA-N 2 1 234.387 1.967 20 30 BDEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246529878 972417535 /nfs/dbraw/zinc/41/75/35/972417535.db2.gz MJQPEZYGAYFOBX-WFASDCNBSA-N 2 1 243.354 1.912 20 30 BDEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246529878 972417546 /nfs/dbraw/zinc/41/75/46/972417546.db2.gz MJQPEZYGAYFOBX-WFASDCNBSA-N 2 1 243.354 1.912 20 30 BDEDMP C=CCn1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cn1 ZINC001206623802 960668313 /nfs/dbraw/zinc/66/83/13/960668313.db2.gz ORRAZDMNJRDSHY-ZDUSSCGKSA-N 2 1 248.374 1.630 20 30 BDEDMP C#Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206188239 968114469 /nfs/dbraw/zinc/11/44/69/968114469.db2.gz UVNYQLRJHINVBW-LSDHHAIUSA-N 2 1 246.329 1.929 20 30 BDEDMP C#Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206188235 968116958 /nfs/dbraw/zinc/11/69/58/968116958.db2.gz UVNYQLRJHINVBW-HUUCEWRRSA-N 2 1 246.329 1.929 20 30 BDEDMP C=C[C@](C)(O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001252555081 968796949 /nfs/dbraw/zinc/79/69/49/968796949.db2.gz OOWUHVYPVCORML-ZDUSSCGKSA-N 2 1 226.364 1.340 20 30 BDEDMP C=C[C@](C)(O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC001252555081 968796953 /nfs/dbraw/zinc/79/69/53/968796953.db2.gz OOWUHVYPVCORML-ZDUSSCGKSA-N 2 1 226.364 1.340 20 30 BDEDMP C[N@H+]1CCC[C@H](C[NH+]2CCC(S)CC2)C1 ZINC001208612233 969172370 /nfs/dbraw/zinc/17/23/70/969172370.db2.gz LDZOGGKMJHCMJU-NSHDSACASA-N 2 1 228.405 1.722 20 30 BDEDMP C=C[C@H](O)C[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001253598668 969290586 /nfs/dbraw/zinc/29/05/86/969290586.db2.gz WERNCHZQDQKPLQ-GJZGRUSLSA-N 2 1 248.370 1.816 20 30 BDEDMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC001254678997 969782927 /nfs/dbraw/zinc/78/29/27/969782927.db2.gz JHOABRATLJUZEM-YIYPIFLZSA-N 2 1 233.359 1.562 20 30 BDEDMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC001254678997 969782930 /nfs/dbraw/zinc/78/29/30/969782930.db2.gz JHOABRATLJUZEM-YIYPIFLZSA-N 2 1 233.359 1.562 20 30 BDEDMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC001254678997 969782937 /nfs/dbraw/zinc/78/29/37/969782937.db2.gz JHOABRATLJUZEM-YIYPIFLZSA-N 2 1 233.359 1.562 20 30 BDEDMP C=C[C@H](COC)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001255019200 969847946 /nfs/dbraw/zinc/84/79/46/969847946.db2.gz OKDDLFVJHRNBGA-CYBMUJFWSA-N 2 1 238.375 1.651 20 30 BDEDMP C[NH+]1CCC([NH2+]CC(C)(C)S)CC1 ZINC001256198037 970692250 /nfs/dbraw/zinc/69/22/50/970692250.db2.gz ZBJPTSRPARYEEE-UHFFFAOYSA-N 2 1 202.367 1.379 20 30 BDEDMP N#CC1CCC([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246594693 973008683 /nfs/dbraw/zinc/00/86/83/973008683.db2.gz XCTIXCKWNLMLKL-IFWUJCSASA-N 2 1 239.338 1.830 20 30 BDEDMP N#CC1CCC([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246594693 973008701 /nfs/dbraw/zinc/00/87/01/973008701.db2.gz XCTIXCKWNLMLKL-IFWUJCSASA-N 2 1 239.338 1.830 20 30 BDEDMP N#CCC1CCC([N@H+]2CC[C@@H](N)C2)CC1 ZINC001173326047 975274009 /nfs/dbraw/zinc/27/40/09/975274009.db2.gz RDOPSLAFEXRMFD-MOENNCHZSA-N 2 1 207.321 1.492 20 30 BDEDMP N#CCC1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001173326047 975274028 /nfs/dbraw/zinc/27/40/28/975274028.db2.gz RDOPSLAFEXRMFD-MOENNCHZSA-N 2 1 207.321 1.492 20 30 BDEDMP CC[N@@H+](C[C@H](C)C#N)CC1CC[NH+](C)CC1 ZINC000691571148 977157424 /nfs/dbraw/zinc/15/74/24/977157424.db2.gz DSCQLRLSGCLMAE-GFCCVEGCSA-N 2 1 223.364 1.810 20 30 BDEDMP C[N@H+]1CCC2(C1)CC[NH+](CCCC#N)CC2 ZINC001277943337 979039972 /nfs/dbraw/zinc/03/99/72/979039972.db2.gz TULLDIZHFOVOJD-UHFFFAOYSA-N 2 1 221.348 1.708 20 30 BDEDMP C#CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC1CC1 ZINC001350366013 981943534 /nfs/dbraw/zinc/94/35/34/981943534.db2.gz VXVZRXVKCXQOMD-AWEZNQCLSA-N 2 1 238.375 1.033 20 30 BDEDMP C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578486100 985114671 /nfs/dbraw/zinc/11/46/71/985114671.db2.gz UVODUPCHAIPIMY-WDNDVIMCSA-N 2 1 227.311 1.208 20 30 BDEDMP C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578486100 985114680 /nfs/dbraw/zinc/11/46/80/985114680.db2.gz UVODUPCHAIPIMY-WDNDVIMCSA-N 2 1 227.311 1.208 20 30 BDEDMP C=C[C@@H](O)C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001253582570 986144180 /nfs/dbraw/zinc/14/41/80/986144180.db2.gz QCPFPNOKARXUGA-CQSZACIVSA-N 2 1 240.391 1.586 20 30 BDEDMP N#Cc1ccnc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC001580081221 986526564 /nfs/dbraw/zinc/52/65/64/986526564.db2.gz XKUMYAVKIBPMDR-GFCCVEGCSA-N 2 1 244.342 1.514 20 30 BDEDMP C=C[C@@](C)(O)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246023745 987320887 /nfs/dbraw/zinc/32/08/87/987320887.db2.gz SQQGCBQQENCPPE-VXGBXAGGSA-N 2 1 230.327 1.076 20 30 BDEDMP C=C[C@](C)(O)C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246029408 987333064 /nfs/dbraw/zinc/33/30/64/987333064.db2.gz FIAVFXPDCPQKIB-STQMWFEESA-N 2 1 224.348 1.141 20 30 BDEDMP C=C[C@](C)(O)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246029408 987333073 /nfs/dbraw/zinc/33/30/73/987333073.db2.gz FIAVFXPDCPQKIB-STQMWFEESA-N 2 1 224.348 1.141 20 30 BDEDMP C[C@H]1C[C@H]([NH2+]Cc2cncc(C#N)c2)CC[NH2+]1 ZINC001246352552 987761766 /nfs/dbraw/zinc/76/17/66/987761766.db2.gz RVCFMBZCRSXXBL-GXFFZTMASA-N 2 1 230.315 1.183 20 30 BDEDMP C[C@@H]1C[C@@H]([NH2+]Cc2csc(C#N)c2)CC[NH2+]1 ZINC001246398461 987784797 /nfs/dbraw/zinc/78/47/97/987784797.db2.gz VTDWDRNABLLNDU-KOLCDFICSA-N 2 1 235.356 1.850 20 30 BDEDMP C[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)cs2)CC[NH2+]1 ZINC001246502632 987856227 /nfs/dbraw/zinc/85/62/27/987856227.db2.gz ILMLCEVSEIGOGB-ONGXEEELSA-N 2 1 235.356 1.850 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]([NH3+])CC2)C1 ZINC001246546670 987931251 /nfs/dbraw/zinc/93/12/51/987931251.db2.gz NGDONQYGNGXBNI-GRYCIOLGSA-N 2 1 207.321 1.492 20 30 BDEDMP C[C@H]1C[N@H+](C2CCC(C)(C#N)CC2)C[C@H]1C[NH3+] ZINC001246549524 987933609 /nfs/dbraw/zinc/93/36/09/987933609.db2.gz SKBBMLKFXZABCU-MRFVTOPCSA-N 2 1 235.375 1.985 20 30 BDEDMP C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)CC[C@H]1C[NH3+] ZINC001246554008 987957108 /nfs/dbraw/zinc/95/71/08/987957108.db2.gz AOKYNAWMJVCJCH-ZOBORPQBSA-N 2 1 235.375 1.985 20 30 BDEDMP C=CCC[C@@H](C)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246607219 988230299 /nfs/dbraw/zinc/23/02/99/988230299.db2.gz VLHACUMCYITVTQ-CYBMUJFWSA-N 2 1 237.391 1.369 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246637876 988326181 /nfs/dbraw/zinc/32/61/81/988326181.db2.gz PZAZJCKMKXZXED-WRWGMCAJSA-N 2 1 205.305 1.115 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246637876 988326197 /nfs/dbraw/zinc/32/61/97/988326197.db2.gz PZAZJCKMKXZXED-WRWGMCAJSA-N 2 1 205.305 1.115 20 30 BDEDMP C#C[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246837925 988539566 /nfs/dbraw/zinc/53/95/66/988539566.db2.gz WZDDCYFFXDDOEU-XQQFMLRXSA-N 2 1 206.333 1.472 20 30 BDEDMP C=CCO[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC001326075242 989363690 /nfs/dbraw/zinc/36/36/90/989363690.db2.gz KQHLLOPAXGQQCN-CHWSQXEVSA-N 2 1 226.364 1.637 20 30 BDEDMP C=CCO[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC001326075242 989363700 /nfs/dbraw/zinc/36/37/00/989363700.db2.gz KQHLLOPAXGQQCN-CHWSQXEVSA-N 2 1 226.364 1.637 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccno1 ZINC001560859622 991628655 /nfs/dbraw/zinc/62/86/55/991628655.db2.gz OVUYOUUIVGDBIK-GFCCVEGCSA-N 2 1 235.331 1.150 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)Cc1ccno1 ZINC001560859622 991628659 /nfs/dbraw/zinc/62/86/59/991628659.db2.gz OVUYOUUIVGDBIK-GFCCVEGCSA-N 2 1 235.331 1.150 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C1CC(C)(C)C1 ZINC000378682805 346807383 /nfs/dbraw/zinc/80/73/83/346807383.db2.gz YGKONEWJDIEPSZ-UHFFFAOYSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CC(C)(C)C1 ZINC000378682805 346807387 /nfs/dbraw/zinc/80/73/87/346807387.db2.gz YGKONEWJDIEPSZ-UHFFFAOYSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCCOC ZINC000378800610 346838023 /nfs/dbraw/zinc/83/80/23/346838023.db2.gz TZGWXVARWVLARK-ZDUSSCGKSA-N 2 1 226.364 1.346 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCCOC ZINC000378800610 346838025 /nfs/dbraw/zinc/83/80/25/346838025.db2.gz TZGWXVARWVLARK-ZDUSSCGKSA-N 2 1 226.364 1.346 20 30 BDEDMP C[C@H](CCC#N)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000602592450 349614980 /nfs/dbraw/zinc/61/49/80/349614980.db2.gz RFGGNBHDSCJJSB-HZSPNIEDSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000602592450 349614984 /nfs/dbraw/zinc/61/49/84/349614984.db2.gz RFGGNBHDSCJJSB-HZSPNIEDSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000602592450 349614987 /nfs/dbraw/zinc/61/49/87/349614987.db2.gz RFGGNBHDSCJJSB-HZSPNIEDSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000602592450 349614991 /nfs/dbraw/zinc/61/49/91/349614991.db2.gz RFGGNBHDSCJJSB-HZSPNIEDSA-N 2 1 235.375 1.952 20 30 BDEDMP C=CCOCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000389378011 539016083 /nfs/dbraw/zinc/01/60/83/539016083.db2.gz BNUXVGNSHDXXER-RYUDHWBXSA-N 2 1 212.337 1.261 20 30 BDEDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336684599 346912523 /nfs/dbraw/zinc/91/25/23/346912523.db2.gz SVAQJNYYWNNJJL-CHWSQXEVSA-N 2 1 223.364 1.999 20 30 BDEDMP C[NH+]1CCC2(CC[N@@H+](CCCC#N)C2)CC1 ZINC000602878012 349790176 /nfs/dbraw/zinc/79/01/76/349790176.db2.gz OGAZKINVFDRBBO-UHFFFAOYSA-N 2 1 221.348 1.708 20 30 BDEDMP N#Cc1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000034566756 136302324 /nfs/dbraw/zinc/30/23/24/136302324.db2.gz FUJRFKWLRTXOMB-AWEZNQCLSA-N 2 1 229.327 1.729 20 30 BDEDMP C[NH+]1CCC([NH2+]CC2(CC#N)CC2)CC1 ZINC000083853761 343502205 /nfs/dbraw/zinc/50/22/05/343502205.db2.gz KMHALSFIMYVJBN-UHFFFAOYSA-N 2 1 207.321 1.364 20 30 BDEDMP Cc1nccn1CCC[N@H+](C)[C@@H](C)CC#N ZINC000120520686 344893300 /nfs/dbraw/zinc/89/33/00/344893300.db2.gz UYPNBZWMOGMTAV-NSHDSACASA-N 2 1 220.320 1.816 20 30 BDEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)CC#N ZINC000120520686 344893303 /nfs/dbraw/zinc/89/33/03/344893303.db2.gz UYPNBZWMOGMTAV-NSHDSACASA-N 2 1 220.320 1.816 20 30 BDEDMP CC#CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371292070 345585369 /nfs/dbraw/zinc/58/53/69/345585369.db2.gz AVLJJVAEDFPYFB-MELADBBJSA-N 2 1 236.359 1.193 20 30 BDEDMP CC#CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371292070 345585371 /nfs/dbraw/zinc/58/53/71/345585371.db2.gz AVLJJVAEDFPYFB-MELADBBJSA-N 2 1 236.359 1.193 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H]1CC ZINC000382293705 347262636 /nfs/dbraw/zinc/26/26/36/347262636.db2.gz LOUJNVXEPTVSOU-CHWSQXEVSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]1CC ZINC000382293705 347262640 /nfs/dbraw/zinc/26/26/40/347262640.db2.gz LOUJNVXEPTVSOU-CHWSQXEVSA-N 2 1 208.349 1.720 20 30 BDEDMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000591581444 347678788 /nfs/dbraw/zinc/67/87/88/347678788.db2.gz WQDYCKOLUPFCCX-NXEZZACHSA-N 2 1 203.289 1.556 20 30 BDEDMP C=CCC[C@H](CCC)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154389685 191075777 /nfs/dbraw/zinc/07/57/77/191075777.db2.gz JUWVLXIIKUFAJQ-QWHCGFSZSA-N 2 1 228.380 1.633 20 30 BDEDMP C[NH+](C)CCc1ccc(C[NH2+]CCC#N)cc1 ZINC000577723475 366043905 /nfs/dbraw/zinc/04/39/05/366043905.db2.gz YJACDNGYICMFID-UHFFFAOYSA-N 2 1 231.343 1.794 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336738716 352146088 /nfs/dbraw/zinc/14/60/88/352146088.db2.gz ONCOFSRPBGPSIE-NWDGAFQWSA-N 2 1 218.304 1.473 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000336740147 352368523 /nfs/dbraw/zinc/36/85/23/352368523.db2.gz LZCWVUGFPBOCBN-RWMBFGLXSA-N 2 1 226.364 1.101 20 30 BDEDMP C#Cc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000289274545 353621668 /nfs/dbraw/zinc/62/16/68/353621668.db2.gz NWOUPYSDXNHGAN-UHFFFAOYSA-N 2 1 228.339 1.852 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1cnn(C)c1 ZINC000295004278 353795605 /nfs/dbraw/zinc/79/56/05/353795605.db2.gz MFQCAXPMGGLJNS-AWEZNQCLSA-N 2 1 248.374 1.416 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1cnn(C)c1 ZINC000295004278 353795607 /nfs/dbraw/zinc/79/56/07/353795607.db2.gz MFQCAXPMGGLJNS-AWEZNQCLSA-N 2 1 248.374 1.416 20 30 BDEDMP C=CC[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350182036 355621503 /nfs/dbraw/zinc/62/15/03/355621503.db2.gz WESIVNBYHCZFEZ-ZDUSSCGKSA-N 2 1 226.364 1.605 20 30 BDEDMP C=CCCC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324226 192227964 /nfs/dbraw/zinc/22/79/64/192227964.db2.gz HDUUYPXJFHLXCC-ZDUSSCGKSA-N 2 1 238.375 1.640 20 30 BDEDMP C[C@H]([NH2+]CCc1cccc(C#N)c1)[C@H]1CCC[NH2+]1 ZINC000423095762 192566291 /nfs/dbraw/zinc/56/62/91/192566291.db2.gz GALJMSBOGAOXJH-SWLSCSKDSA-N 2 1 243.354 1.831 20 30 BDEDMP C=CC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559768 361455461 /nfs/dbraw/zinc/45/54/61/361455461.db2.gz BVXXDKJMRWDDAG-BDAKNGLRSA-N 2 1 222.254 1.632 20 30 BDEDMP C=CC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559768 361455466 /nfs/dbraw/zinc/45/54/66/361455466.db2.gz BVXXDKJMRWDDAG-BDAKNGLRSA-N 2 1 222.254 1.632 20 30 BDEDMP C=CC1CC[NH+](C[C@H](O)C[N@H+](C)CC)CC1 ZINC000574288868 365030877 /nfs/dbraw/zinc/03/08/77/365030877.db2.gz WRLNFLFCLIPGIH-CYBMUJFWSA-N 2 1 226.364 1.197 20 30 BDEDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(C#N)o2)C1 ZINC000459744817 203350683 /nfs/dbraw/zinc/35/06/83/203350683.db2.gz XXNJZYKEONADAH-LBPRGKRZSA-N 2 1 247.342 1.973 20 30 BDEDMP Cc1ccc(C[N@@H+](C)CCC[NH3+])cc1C#N ZINC000600699700 369557948 /nfs/dbraw/zinc/55/79/48/369557948.db2.gz BZEVIQWXLGUECK-UHFFFAOYSA-N 2 1 217.316 1.647 20 30 BDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@@]1(C)C[NH3+] ZINC000600769247 369560809 /nfs/dbraw/zinc/56/08/09/369560809.db2.gz KOHQQGWEBUYYTP-ZWNOBZJWSA-N 2 1 233.315 1.568 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@@]1(C)C[NH3+] ZINC000600769247 369560814 /nfs/dbraw/zinc/56/08/14/369560814.db2.gz KOHQQGWEBUYYTP-ZWNOBZJWSA-N 2 1 233.315 1.568 20 30 BDEDMP C[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C[C@H]1C[NH3+] ZINC000600769806 369562703 /nfs/dbraw/zinc/56/27/03/369562703.db2.gz RNBSFNJEVVRCHG-GHMZBOCLSA-N 2 1 233.315 1.568 20 30 BDEDMP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)C[C@H]1C[NH3+] ZINC000600769806 369562705 /nfs/dbraw/zinc/56/27/05/369562705.db2.gz RNBSFNJEVVRCHG-GHMZBOCLSA-N 2 1 233.315 1.568 20 30 BDEDMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1C#N ZINC000216177729 371709835 /nfs/dbraw/zinc/70/98/35/371709835.db2.gz GBJIPTGJYYBLHI-NEPJUHHUSA-N 2 1 229.327 1.727 20 30 BDEDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1C#N ZINC000216177729 371709839 /nfs/dbraw/zinc/70/98/39/371709839.db2.gz GBJIPTGJYYBLHI-NEPJUHHUSA-N 2 1 229.327 1.727 20 30 BDEDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C#N)cc1 ZINC000216029265 371683568 /nfs/dbraw/zinc/68/35/68/371683568.db2.gz NSRQIXAMAOIUNG-RISCZKNCSA-N 2 1 229.327 1.727 20 30 BDEDMP C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CCCC[NH2+]1 ZINC000424379919 206039606 /nfs/dbraw/zinc/03/96/06/206039606.db2.gz WDAOTIPRSWVBET-WUHRBBMRSA-N 2 1 221.348 1.799 20 30 BDEDMP N#CCC[C@H](C#N)CN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000569568923 384259337 /nfs/dbraw/zinc/25/93/37/384259337.db2.gz SLSDOFFSRIOMHL-HZSPNIEDSA-N 2 1 246.358 1.646 20 30 BDEDMP C[NH+](C)C[C@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000173893743 384280641 /nfs/dbraw/zinc/28/06/41/384280641.db2.gz MXTHTZYNJVKCEK-GFCCVEGCSA-N 2 1 241.404 1.517 20 30 BDEDMP CC[NH+](CC)CCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189575955 385194334 /nfs/dbraw/zinc/19/43/34/385194334.db2.gz ZLDFMRUBWQOISB-UHFFFAOYSA-N 2 1 248.374 1.718 20 30 BDEDMP N#CCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000158071421 385338325 /nfs/dbraw/zinc/33/83/25/385338325.db2.gz ZALARKRAEDTXJX-CHWSQXEVSA-N 2 1 233.359 1.897 20 30 BDEDMP C=CC[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000186715654 385785932 /nfs/dbraw/zinc/78/59/32/385785932.db2.gz QUZDAUZSRJGQMZ-YNEHKIRRSA-N 2 1 224.348 1.140 20 30 BDEDMP C[C@@H](C[NH2+]Cc1cc(C#N)n(C)c1)C[NH+](C)C ZINC000291651797 385904091 /nfs/dbraw/zinc/90/40/91/385904091.db2.gz CTHDTQKSFHHRKD-NSHDSACASA-N 2 1 234.347 1.184 20 30 BDEDMP C=C(C)[C@H](CO)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000645187118 386849882 /nfs/dbraw/zinc/84/98/82/386849882.db2.gz XVKBGQKZFIJPNI-KBPBESRZSA-N 2 1 238.375 1.341 20 30 BDEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000645187118 386849884 /nfs/dbraw/zinc/84/98/84/386849884.db2.gz XVKBGQKZFIJPNI-KBPBESRZSA-N 2 1 238.375 1.341 20 30 BDEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000645187118 386849888 /nfs/dbraw/zinc/84/98/88/386849888.db2.gz XVKBGQKZFIJPNI-KBPBESRZSA-N 2 1 238.375 1.341 20 30 BDEDMP Cc1cc(N[C@H]2CC[N@H+](C(C)C)C2)c(C#N)cn1 ZINC000399475193 387140198 /nfs/dbraw/zinc/14/01/98/387140198.db2.gz XAZMODYKIFEAQX-ZDUSSCGKSA-N 2 1 244.342 1.578 20 30 BDEDMP C=CC[NH+]1CCC(N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422863844 387746679 /nfs/dbraw/zinc/74/66/79/387746679.db2.gz SLIAXMVWFVFGHE-OCCSQVGLSA-N 2 1 237.391 1.354 20 30 BDEDMP C=C(CC)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423167472 387953044 /nfs/dbraw/zinc/95/30/44/387953044.db2.gz WSURDGMHTKUZDL-BFHYXJOUSA-N 2 1 238.375 1.699 20 30 BDEDMP C=CCCCC[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000453090210 387982579 /nfs/dbraw/zinc/98/25/79/387982579.db2.gz BQCRLZUAYNRFBH-OLZOCXBDSA-N 2 1 228.380 1.633 20 30 BDEDMP C#C[C@@H](C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000491694734 388311805 /nfs/dbraw/zinc/31/18/05/388311805.db2.gz GMOJMGNNXSUUQE-LLVKDONJSA-N 2 1 205.305 1.306 20 30 BDEDMP C#C[C@@H](C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000491694734 388311806 /nfs/dbraw/zinc/31/18/06/388311806.db2.gz GMOJMGNNXSUUQE-LLVKDONJSA-N 2 1 205.305 1.306 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccoc1 ZINC000491821472 388324169 /nfs/dbraw/zinc/32/41/69/388324169.db2.gz VVBOQOSFTXNMFI-ZDUSSCGKSA-N 2 1 234.343 1.755 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccoc1 ZINC000491821472 388324170 /nfs/dbraw/zinc/32/41/70/388324170.db2.gz VVBOQOSFTXNMFI-ZDUSSCGKSA-N 2 1 234.343 1.755 20 30 BDEDMP C#CC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000178264431 388497647 /nfs/dbraw/zinc/49/76/47/388497647.db2.gz ZMGBQLNWOFSBKN-KGLIPLIRSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000178264431 388497650 /nfs/dbraw/zinc/49/76/50/388497650.db2.gz ZMGBQLNWOFSBKN-KGLIPLIRSA-N 2 1 238.375 1.346 20 30 BDEDMP C=C(C)COCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000108489141 388586199 /nfs/dbraw/zinc/58/61/99/388586199.db2.gz SBHZFQHGZNMYGU-MELADBBJSA-N 2 1 240.391 1.897 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000328155273 388558568 /nfs/dbraw/zinc/55/85/68/388558568.db2.gz GJWCYRUHFWNJIM-QWHCGFSZSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000328155273 388558570 /nfs/dbraw/zinc/55/85/70/388558570.db2.gz GJWCYRUHFWNJIM-QWHCGFSZSA-N 2 1 224.348 1.099 20 30 BDEDMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423270920 388689321 /nfs/dbraw/zinc/68/93/21/388689321.db2.gz GYBWRRIIRMTZMJ-IINYFYTJSA-N 2 1 229.327 1.946 20 30 BDEDMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423270922 388689592 /nfs/dbraw/zinc/68/95/92/388689592.db2.gz GYBWRRIIRMTZMJ-YGRLFVJLSA-N 2 1 229.327 1.946 20 30 BDEDMP C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@H](C)[NH3+] ZINC000423441630 388693298 /nfs/dbraw/zinc/69/32/98/388693298.db2.gz JDIZKNNKZRHCKM-AXFHLTTASA-N 2 1 217.316 1.945 20 30 BDEDMP C#CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000227343717 134377988 /nfs/dbraw/zinc/37/79/88/134377988.db2.gz PHYCVXWBCROYMP-CHWSQXEVSA-N 2 1 206.333 1.426 20 30 BDEDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCC#N ZINC000252710571 135099876 /nfs/dbraw/zinc/09/98/76/135099876.db2.gz HBMAPUYHQWDPPW-NWDGAFQWSA-N 2 1 209.337 1.610 20 30 BDEDMP Cc1[nH+]ccn1CCCNC(=[NH2+])NC(C)(C)C ZINC000264063964 135131093 /nfs/dbraw/zinc/13/10/93/135131093.db2.gz AMEJRXSWDDRKGC-UHFFFAOYSA-N 2 1 237.351 1.284 20 30 BDEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])NC1CC1 ZINC000267425491 135154339 /nfs/dbraw/zinc/15/43/39/135154339.db2.gz LIGCSQZIYNRZAX-UHFFFAOYSA-N 2 1 235.335 1.038 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000341871922 135244142 /nfs/dbraw/zinc/24/41/42/135244142.db2.gz DJECFRZYDVCKKQ-ZOBORPQBSA-N 2 1 240.391 1.489 20 30 BDEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)NC1CCCC1 ZINC000263279844 135344127 /nfs/dbraw/zinc/34/41/27/135344127.db2.gz ZRTLJTXIYJOMCB-LLVKDONJSA-N 2 1 238.379 1.046 20 30 BDEDMP CC#CC[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000174950057 397766327 /nfs/dbraw/zinc/76/63/27/397766327.db2.gz UQRUGPJWCQQLLS-CYBMUJFWSA-N 2 1 208.349 1.673 20 30 BDEDMP CC#CC[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000174950057 397766331 /nfs/dbraw/zinc/76/63/31/397766331.db2.gz UQRUGPJWCQQLLS-CYBMUJFWSA-N 2 1 208.349 1.673 20 30 BDEDMP CC#CC[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000174950057 397766337 /nfs/dbraw/zinc/76/63/37/397766337.db2.gz UQRUGPJWCQQLLS-CYBMUJFWSA-N 2 1 208.349 1.673 20 30 BDEDMP CC#CC[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000174950057 397766340 /nfs/dbraw/zinc/76/63/40/397766340.db2.gz UQRUGPJWCQQLLS-CYBMUJFWSA-N 2 1 208.349 1.673 20 30 BDEDMP C=CCC[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000320975277 398035003 /nfs/dbraw/zinc/03/50/03/398035003.db2.gz HCMYQEWNFQDSBW-MGPQQGTHSA-N 2 1 238.375 1.530 20 30 BDEDMP C=CC[N@@H+](CCn1cc[nH+]c1C)[C@@H](C)COC ZINC000661240801 410401609 /nfs/dbraw/zinc/40/16/09/410401609.db2.gz RLAIBCUWZAIQEG-LBPRGKRZSA-N 2 1 237.347 1.714 20 30 BDEDMP C=CC[N@H+](CCn1cc[nH+]c1C)[C@@H](C)COC ZINC000661240801 410401616 /nfs/dbraw/zinc/40/16/16/410401616.db2.gz RLAIBCUWZAIQEG-LBPRGKRZSA-N 2 1 237.347 1.714 20 30 BDEDMP C#CC[NH+](CC)CC(C)C[N@H+](CC)CC#C ZINC000267369385 166167811 /nfs/dbraw/zinc/16/78/11/166167811.db2.gz XZPVLPALLVERMD-UHFFFAOYSA-N 2 1 220.360 1.533 20 30 BDEDMP C#CC[NH+](CC)CC(C)C[N@@H+](CC)CC#C ZINC000267369385 166167813 /nfs/dbraw/zinc/16/78/13/166167813.db2.gz XZPVLPALLVERMD-UHFFFAOYSA-N 2 1 220.360 1.533 20 30 BDEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000651762846 411142198 /nfs/dbraw/zinc/14/21/98/411142198.db2.gz SMIOJQXLPHMJFP-MGPQQGTHSA-N 2 1 238.375 1.387 20 30 BDEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000651762846 411142199 /nfs/dbraw/zinc/14/21/99/411142199.db2.gz SMIOJQXLPHMJFP-MGPQQGTHSA-N 2 1 238.375 1.387 20 30 BDEDMP C=CCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655764503 411234623 /nfs/dbraw/zinc/23/46/23/411234623.db2.gz JECZNTGLPUZFAU-CQSZACIVSA-N 2 1 238.375 1.796 20 30 BDEDMP C=CCOCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657659217 411572411 /nfs/dbraw/zinc/57/24/11/411572411.db2.gz RMQVGXOJFXASKO-ZIAGYGMSSA-N 2 1 238.375 1.796 20 30 BDEDMP C=CCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659749 411615288 /nfs/dbraw/zinc/61/52/88/411615288.db2.gz QOAVMTKVGWTNKW-ZDUSSCGKSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659749 411615289 /nfs/dbraw/zinc/61/52/89/411615289.db2.gz QOAVMTKVGWTNKW-ZDUSSCGKSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659749 411615291 /nfs/dbraw/zinc/61/52/91/411615291.db2.gz QOAVMTKVGWTNKW-ZDUSSCGKSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CCC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000320808216 323183839 /nfs/dbraw/zinc/18/38/39/323183839.db2.gz WTLOWAZTDSTDBM-JHJVBQTASA-N 2 1 226.364 1.386 20 30 BDEDMP C=CCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000320808216 323183840 /nfs/dbraw/zinc/18/38/40/323183840.db2.gz WTLOWAZTDSTDBM-JHJVBQTASA-N 2 1 226.364 1.386 20 30 BDEDMP C=CCOCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000303552218 490167347 /nfs/dbraw/zinc/16/73/47/490167347.db2.gz XARKEQDEORXRFA-OLZOCXBDSA-N 2 1 224.348 1.405 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000341882375 534402835 /nfs/dbraw/zinc/40/28/35/534402835.db2.gz HBGCUVHNWZUFKZ-MELADBBJSA-N 2 1 238.375 1.387 20 30 BDEDMP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000261902794 534844888 /nfs/dbraw/zinc/84/48/88/534844888.db2.gz WLBPVAOWWYPMLE-LBPRGKRZSA-N 2 1 238.379 1.197 20 30 BDEDMP C=CC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367200391 534847155 /nfs/dbraw/zinc/84/71/55/534847155.db2.gz OYJRTVMHZRKGAP-UHFFFAOYSA-N 2 1 208.349 1.980 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000491165936 526826767 /nfs/dbraw/zinc/82/67/67/526826767.db2.gz ODLYPNAPEPQTNQ-KBPBESRZSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000491165936 526826771 /nfs/dbraw/zinc/82/67/71/526826771.db2.gz ODLYPNAPEPQTNQ-KBPBESRZSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000490763921 526957656 /nfs/dbraw/zinc/95/76/56/526957656.db2.gz YGQLOYAXVRAZBL-CYBMUJFWSA-N 2 1 224.348 1.052 20 30 BDEDMP C=CCSCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400658497 527005514 /nfs/dbraw/zinc/00/55/14/527005514.db2.gz RIGKQAGNRLGYNA-WDEREUQCSA-N 2 1 214.378 1.636 20 30 BDEDMP C#CC[N@@H+](Cc1cncn1CC)C(C)C ZINC000897171308 583888854 /nfs/dbraw/zinc/88/88/54/583888854.db2.gz VKLRNLQJCMQXKV-UHFFFAOYSA-N 2 1 205.305 1.747 20 30 BDEDMP C#CC[N@H+](Cc1cncn1CC)C(C)C ZINC000897171308 583888858 /nfs/dbraw/zinc/88/88/58/583888858.db2.gz VKLRNLQJCMQXKV-UHFFFAOYSA-N 2 1 205.305 1.747 20 30 BDEDMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cccc(C#N)c1 ZINC000902412788 584581553 /nfs/dbraw/zinc/58/15/53/584581553.db2.gz DXMVGKOZRMEYRE-SNVBAGLBSA-N 2 1 215.300 1.700 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccc1NC ZINC000902574034 584636901 /nfs/dbraw/zinc/63/69/01/584636901.db2.gz FIRIFZSLCKMSBJ-UHFFFAOYSA-N 2 1 245.370 1.773 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccccc1NC ZINC000902574034 584636902 /nfs/dbraw/zinc/63/69/02/584636902.db2.gz FIRIFZSLCKMSBJ-UHFFFAOYSA-N 2 1 245.370 1.773 20 30 BDEDMP N#CC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000903033534 584718644 /nfs/dbraw/zinc/71/86/44/584718644.db2.gz WRAFXLCGQFRRFN-QWHCGFSZSA-N 2 1 233.359 1.897 20 30 BDEDMP Cc1cc(C#N)cc(C)c1C[N@@H+](C)CCC[NH3+] ZINC000903425101 584765432 /nfs/dbraw/zinc/76/54/32/584765432.db2.gz RUGJKUQYKUGLTO-UHFFFAOYSA-N 2 1 231.343 1.956 20 30 BDEDMP N#C[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000903563701 584782340 /nfs/dbraw/zinc/78/23/40/584782340.db2.gz JSBSBSGAWQJEBS-RYUDHWBXSA-N 2 1 207.321 1.222 20 30 BDEDMP C=CC[N@@H+](C[C@@H]1CCCC[NH2+]C1)[C@@H](C)COC ZINC000903766950 584797348 /nfs/dbraw/zinc/79/73/48/584797348.db2.gz DINSAOQWMFIWCJ-UONOGXRCSA-N 2 1 240.391 1.899 20 30 BDEDMP C[N@H+](CCC[NH3+])Cc1cc(C#N)cs1 ZINC000903825600 584804402 /nfs/dbraw/zinc/80/44/02/584804402.db2.gz AOYOMCWIWJLPRR-UHFFFAOYSA-N 2 1 209.318 1.400 20 30 BDEDMP C[N@@H+](CCC[NH3+])Cc1cc(C#N)cs1 ZINC000903825600 584804403 /nfs/dbraw/zinc/80/44/03/584804403.db2.gz AOYOMCWIWJLPRR-UHFFFAOYSA-N 2 1 209.318 1.400 20 30 BDEDMP C#CCCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000759968297 585383333 /nfs/dbraw/zinc/38/33/33/585383333.db2.gz XJQHGINNWSULGS-ZDUSSCGKSA-N 2 1 208.349 1.816 20 30 BDEDMP C#CCC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000760842306 585399494 /nfs/dbraw/zinc/39/94/94/585399494.db2.gz GEZSKXZGAOPGCC-STQMWFEESA-N 2 1 208.349 1.814 20 30 BDEDMP C#CCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000760842306 585399495 /nfs/dbraw/zinc/39/94/95/585399495.db2.gz GEZSKXZGAOPGCC-STQMWFEESA-N 2 1 208.349 1.814 20 30 BDEDMP C#CCC[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000760842306 585399496 /nfs/dbraw/zinc/39/94/96/585399496.db2.gz GEZSKXZGAOPGCC-STQMWFEESA-N 2 1 208.349 1.814 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCO)CC1 ZINC000779405109 585753537 /nfs/dbraw/zinc/75/35/37/585753537.db2.gz NIPTUOFLMJGNOT-GFCCVEGCSA-N 2 1 226.364 1.387 20 30 BDEDMP C#C[C@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC000847022074 588302544 /nfs/dbraw/zinc/30/25/44/588302544.db2.gz RVTUPIGDSLFGKR-ZDUSSCGKSA-N 2 1 217.316 1.618 20 30 BDEDMP CCNC(NCCCC[N@@H+](C)C1CC1)=[NH+]CC ZINC000849039703 588447108 /nfs/dbraw/zinc/44/71/08/588447108.db2.gz OCIGOKQKTNKVJM-UHFFFAOYSA-N 2 1 240.395 1.436 20 30 BDEDMP C#CCOCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000851848222 588634545 /nfs/dbraw/zinc/63/45/45/588634545.db2.gz ZVKWYJIDZQHMIP-UONOGXRCSA-N 2 1 238.375 1.298 20 30 BDEDMP C#CCOCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000851848222 588634546 /nfs/dbraw/zinc/63/45/46/588634546.db2.gz ZVKWYJIDZQHMIP-UONOGXRCSA-N 2 1 238.375 1.298 20 30 BDEDMP C#CCOCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000851848222 588634547 /nfs/dbraw/zinc/63/45/47/588634547.db2.gz ZVKWYJIDZQHMIP-UONOGXRCSA-N 2 1 238.375 1.298 20 30 BDEDMP CNC(NC[C@@H]1CC[N@H+]1C1CCCCC1)=[NH+]C ZINC000864357423 589354924 /nfs/dbraw/zinc/35/49/24/589354924.db2.gz WQHDLBZGPBXTOP-LBPRGKRZSA-N 2 1 238.379 1.188 20 30 BDEDMP C[C@H](CCC#N)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877741029 590409235 /nfs/dbraw/zinc/40/92/35/590409235.db2.gz MEDVOTAEMZVZHZ-MCIONIFRSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877741029 590409237 /nfs/dbraw/zinc/40/92/37/590409237.db2.gz MEDVOTAEMZVZHZ-MCIONIFRSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877741029 590409239 /nfs/dbraw/zinc/40/92/39/590409239.db2.gz MEDVOTAEMZVZHZ-MCIONIFRSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877741029 590409240 /nfs/dbraw/zinc/40/92/40/590409240.db2.gz MEDVOTAEMZVZHZ-MCIONIFRSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580201 590819953 /nfs/dbraw/zinc/81/99/53/590819953.db2.gz FNSGCZHSZONFBF-FRRDWIJNSA-N 2 1 221.348 1.705 20 30 BDEDMP C[C@H](CCC#N)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580201 590819955 /nfs/dbraw/zinc/81/99/55/590819955.db2.gz FNSGCZHSZONFBF-FRRDWIJNSA-N 2 1 221.348 1.705 20 30 BDEDMP C[C@H](CCC#N)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580201 590819960 /nfs/dbraw/zinc/81/99/60/590819960.db2.gz FNSGCZHSZONFBF-FRRDWIJNSA-N 2 1 221.348 1.705 20 30 BDEDMP C[C@H](CCC#N)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580201 590819962 /nfs/dbraw/zinc/81/99/62/590819962.db2.gz FNSGCZHSZONFBF-FRRDWIJNSA-N 2 1 221.348 1.705 20 30 BDEDMP CC#CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258774 590978734 /nfs/dbraw/zinc/97/87/34/590978734.db2.gz CHCDWZWDWVAOMX-ZDUSSCGKSA-N 2 1 229.327 1.615 20 30 BDEDMP CC#CC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258774 590978735 /nfs/dbraw/zinc/97/87/35/590978735.db2.gz CHCDWZWDWVAOMX-ZDUSSCGKSA-N 2 1 229.327 1.615 20 30 BDEDMP CC#CC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132507 592448365 /nfs/dbraw/zinc/44/83/65/592448365.db2.gz HIYPJGQHWXZQRQ-ZDUSSCGKSA-N 2 1 229.327 1.615 20 30 BDEDMP CC#CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132507 592448367 /nfs/dbraw/zinc/44/83/67/592448367.db2.gz HIYPJGQHWXZQRQ-ZDUSSCGKSA-N 2 1 229.327 1.615 20 30 BDEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000178564087 635504249 /nfs/dbraw/zinc/50/42/49/635504249.db2.gz LGRGLMLKICFNTD-LLVKDONJSA-N 2 1 247.346 1.150 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@](C)(CC)OC ZINC000319532195 635732873 /nfs/dbraw/zinc/73/28/73/635732873.db2.gz BNBWMYFUICQJGL-ZDUSSCGKSA-N 2 1 226.364 1.346 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@](C)(CC)OC ZINC000319532195 635732879 /nfs/dbraw/zinc/73/28/79/635732879.db2.gz BNBWMYFUICQJGL-ZDUSSCGKSA-N 2 1 226.364 1.346 20 30 BDEDMP C#C[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000309020325 632616384 /nfs/dbraw/zinc/61/63/84/632616384.db2.gz WPGPSBJDWYEODS-NSHDSACASA-N 2 1 208.349 1.861 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(OC)c1 ZINC000328213585 633743941 /nfs/dbraw/zinc/74/39/41/633743941.db2.gz XELTUMKONCNCEB-UHFFFAOYSA-N 2 1 246.354 1.740 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(OC)c1 ZINC000328213585 633743949 /nfs/dbraw/zinc/74/39/49/633743949.db2.gz XELTUMKONCNCEB-UHFFFAOYSA-N 2 1 246.354 1.740 20 30 BDEDMP C=CCC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000321071106 636557026 /nfs/dbraw/zinc/55/70/26/636557026.db2.gz ZVOLRYHFNSZVPS-FUDCBSFHSA-N 2 1 238.375 1.528 20 30 BDEDMP N#C[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000903564506 637369137 /nfs/dbraw/zinc/36/91/37/637369137.db2.gz XWIDLWXRJQRJAM-SDDRHHMPSA-N 2 1 207.321 1.349 20 30 BDEDMP C[C@H](CNC(NC(C)(C)C)=[NH+]C1CC1)[NH+](C)C ZINC000912506582 640101001 /nfs/dbraw/zinc/10/10/01/640101001.db2.gz QRMLKSYVHQUOKD-SNVBAGLBSA-N 2 1 240.395 1.433 20 30 BDEDMP C[N@@H+]1C[C@]2(C)C[NH+]([C@@H]3CC[C@@H](C#N)C3)C[C@]2(C)C1 ZINC000931314023 640149396 /nfs/dbraw/zinc/14/93/96/640149396.db2.gz IKCVHPCHFLKZCP-TUVASFSCSA-N 2 1 247.386 1.952 20 30 BDEDMP C[N@H+]1C[C@]2(C)C[NH+]([C@@H]3CC[C@@H](C#N)C3)C[C@]2(C)C1 ZINC000931314023 640149405 /nfs/dbraw/zinc/14/94/05/640149405.db2.gz IKCVHPCHFLKZCP-TUVASFSCSA-N 2 1 247.386 1.952 20 30 BDEDMP C[NH+]1C[C@]2(C)C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@]2(C)C1 ZINC000931314023 640149408 /nfs/dbraw/zinc/14/94/08/640149408.db2.gz IKCVHPCHFLKZCP-TUVASFSCSA-N 2 1 247.386 1.952 20 30 BDEDMP C[NH+]1C[C@]2(C)C[N@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@]2(C)C1 ZINC000931314023 640149417 /nfs/dbraw/zinc/14/94/17/640149417.db2.gz IKCVHPCHFLKZCP-TUVASFSCSA-N 2 1 247.386 1.952 20 30 BDEDMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2[C@@H]1CC[C@H](C#N)C1 ZINC000931721745 640338037 /nfs/dbraw/zinc/33/80/37/640338037.db2.gz WJXBXFKZOATBES-IGQOVBAYSA-N 2 1 233.359 1.847 20 30 BDEDMP C[C@@H](C#N)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063120771 641135204 /nfs/dbraw/zinc/13/52/04/641135204.db2.gz SWCCJBNKEAUANC-NSHDSACASA-N 2 1 209.337 1.420 20 30 BDEDMP C#CCCC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247034923 642386060 /nfs/dbraw/zinc/38/60/60/642386060.db2.gz LMDYZYMCBOPNDU-QWHCGFSZSA-N 2 1 208.349 1.720 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923355487 644371103 /nfs/dbraw/zinc/37/11/03/644371103.db2.gz MSWKATMNUCVOCK-KGLIPLIRSA-N 2 1 238.375 1.389 20 30 BDEDMP C=CCC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923398523 644405207 /nfs/dbraw/zinc/40/52/07/644405207.db2.gz KRQPBTJGUCMUMR-VXGBXAGGSA-N 2 1 224.348 1.188 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2ccncc2C#N)CC[C@@H]1C[NH3+] ZINC000923493863 644470019 /nfs/dbraw/zinc/47/00/19/644470019.db2.gz ITCBBLCZFKAUKJ-VXGBXAGGSA-N 2 1 244.342 1.370 20 30 BDEDMP N#CC1CCC(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000923515663 644481214 /nfs/dbraw/zinc/48/12/14/644481214.db2.gz JUIPIWHYDOFDQR-PFSRBDOWSA-N 2 1 247.386 1.858 20 30 BDEDMP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000303257859 644812856 /nfs/dbraw/zinc/81/28/56/644812856.db2.gz JWMASVMAZBEZOL-MNOVXSKESA-N 2 1 238.379 1.174 20 30 BDEDMP C[C@H](C#N)OCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000801924476 644846204 /nfs/dbraw/zinc/84/62/04/644846204.db2.gz PQJXWKAQIIDWGJ-JHJVBQTASA-N 2 1 239.363 1.330 20 30 BDEDMP C[C@H](C#N)OCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000801924476 644846205 /nfs/dbraw/zinc/84/62/05/644846205.db2.gz PQJXWKAQIIDWGJ-JHJVBQTASA-N 2 1 239.363 1.330 20 30 BDEDMP C[C@H](C#N)OCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000801924476 644846206 /nfs/dbraw/zinc/84/62/06/644846206.db2.gz PQJXWKAQIIDWGJ-JHJVBQTASA-N 2 1 239.363 1.330 20 30 BDEDMP C[C@H](C#N)OCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000801924476 644846208 /nfs/dbraw/zinc/84/62/08/644846208.db2.gz PQJXWKAQIIDWGJ-JHJVBQTASA-N 2 1 239.363 1.330 20 30 BDEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])N1CCCCC1 ZINC000303972478 644860902 /nfs/dbraw/zinc/86/09/02/644860902.db2.gz FTXSKBKKBDZGEF-LBPRGKRZSA-N 2 1 240.395 1.517 20 30 BDEDMP CC[N@@H+](CCNC(=[NH2+])N1CCCCC1)C(C)C ZINC000303990429 644864097 /nfs/dbraw/zinc/86/40/97/644864097.db2.gz YOZFRJDXNGPRQK-UHFFFAOYSA-N 2 1 240.395 1.517 20 30 BDEDMP CCN(CC)C(=[NH2+])NC[C@H]1CCCC[N@H+]1CC ZINC000304753018 644929954 /nfs/dbraw/zinc/92/99/54/644929954.db2.gz KSHVGIWINCEBIK-GFCCVEGCSA-N 2 1 240.395 1.517 20 30 BDEDMP CCCCNC(=[NH2+])NC[C@@H]1CCCC[N@H+]1CC ZINC000304761894 644930515 /nfs/dbraw/zinc/93/05/15/644930515.db2.gz VBSHCZBOHJYTPY-LBPRGKRZSA-N 2 1 240.395 1.565 20 30 BDEDMP CCCC[N@@H+](C)CCNC(=[NH2+])N(CC)CC ZINC000304755158 644931022 /nfs/dbraw/zinc/93/10/22/644931022.db2.gz MKYPKSMZWBBDIP-UHFFFAOYSA-N 2 1 228.384 1.375 20 30 BDEDMP C#CC[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000847005263 645413147 /nfs/dbraw/zinc/41/31/47/645413147.db2.gz RDTQZZZAFDINMD-UONOGXRCSA-N 2 1 238.375 1.034 20 30 BDEDMP C#CC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000847005263 645413156 /nfs/dbraw/zinc/41/31/56/645413156.db2.gz RDTQZZZAFDINMD-UONOGXRCSA-N 2 1 238.375 1.034 20 30 BDEDMP C#CC[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000847005263 645413161 /nfs/dbraw/zinc/41/31/61/645413161.db2.gz RDTQZZZAFDINMD-UONOGXRCSA-N 2 1 238.375 1.034 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000378923252 712368112 /nfs/dbraw/zinc/36/81/12/712368112.db2.gz QLULROGFFGNBJW-HZSPNIEDSA-N 2 1 220.360 1.720 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000378923252 712368113 /nfs/dbraw/zinc/36/81/13/712368113.db2.gz QLULROGFFGNBJW-HZSPNIEDSA-N 2 1 220.360 1.720 20 30 BDEDMP C=CC[C@@H](C)[N@H+](C)CCOCC[NH2+]C ZINC000715053688 712505003 /nfs/dbraw/zinc/50/50/03/712505003.db2.gz OAHWPBGVHQJECH-LLVKDONJSA-N 2 1 200.326 1.119 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C(C)(C)OC ZINC000382077237 710773702 /nfs/dbraw/zinc/77/37/02/710773702.db2.gz UTRRIIPHUDNSPU-LBPRGKRZSA-N 2 1 226.364 1.345 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C(C)(C)OC ZINC000382077237 710773707 /nfs/dbraw/zinc/77/37/07/710773707.db2.gz UTRRIIPHUDNSPU-LBPRGKRZSA-N 2 1 226.364 1.345 20 30 BDEDMP N#C[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000702651728 712058735 /nfs/dbraw/zinc/05/87/35/712058735.db2.gz KHHYPZPCTWVDMW-CYBMUJFWSA-N 2 1 221.348 1.612 20 30 BDEDMP C#CC1(O)CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000707911670 712173237 /nfs/dbraw/zinc/17/32/37/712173237.db2.gz MIKKKNJGNGDOOO-UHFFFAOYSA-N 2 1 247.342 1.042 20 30 BDEDMP C[NH+]1CCC(C)(C[N@H+]2CC[C@H](C#N)C2)CC1 ZINC001208111040 969005875 /nfs/dbraw/zinc/00/58/75/969005875.db2.gz AUCCWJYLXLRAIZ-GFCCVEGCSA-N 2 1 221.348 1.564 20 30 BDEDMP C=C[C@H](O)C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC001253600878 969293342 /nfs/dbraw/zinc/29/33/42/969293342.db2.gz GYDAJYJROKDKLH-STQMWFEESA-N 2 1 226.364 1.387 20 30 BDEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC(C)(C)S)C2 ZINC001169107438 969448976 /nfs/dbraw/zinc/44/89/76/969448976.db2.gz GTOJWVCIKXOEQZ-JGPRNRPPSA-N 2 1 228.405 1.910 20 30 BDEDMP N#CC1CCC(n2c[nH+]cc2CC[NH3+])CC1 ZINC001256950318 971026947 /nfs/dbraw/zinc/02/69/47/971026947.db2.gz CRFDUMLRTHYQGN-UHFFFAOYSA-N 2 1 218.304 1.639 20 30 BDEDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC001256963883 971039187 /nfs/dbraw/zinc/03/91/87/971039187.db2.gz RRYJQVJDLMEDSD-ABXWRUBCSA-N 2 1 235.375 1.999 20 30 BDEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC001256963883 971039193 /nfs/dbraw/zinc/03/91/93/971039193.db2.gz RRYJQVJDLMEDSD-ABXWRUBCSA-N 2 1 235.375 1.999 20 30 BDEDMP C=CCO[C@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC001345160367 957167123 /nfs/dbraw/zinc/16/71/23/957167123.db2.gz UYDASNOVJFUZPI-KBPBESRZSA-N 2 1 238.375 1.653 20 30 BDEDMP C=CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C1CCCCC1 ZINC001161248358 964562680 /nfs/dbraw/zinc/56/26/80/964562680.db2.gz YPAKIBLWNDIONK-LBPRGKRZSA-N 2 1 239.363 1.010 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000698017421 964883759 /nfs/dbraw/zinc/88/37/59/964883759.db2.gz DUEYHIDCUMQSPO-BTTYYORXSA-N 2 1 220.360 1.577 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000698017421 964883766 /nfs/dbraw/zinc/88/37/66/964883766.db2.gz DUEYHIDCUMQSPO-BTTYYORXSA-N 2 1 220.360 1.577 20 30 BDEDMP C#Cc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205110467 967361659 /nfs/dbraw/zinc/36/16/59/967361659.db2.gz SUGUWPFBHADVHO-OAHLLOKOSA-N 2 1 228.339 1.981 20 30 BDEDMP C[C@@]1([NH3+])CCC[N@H+](Cc2cc(C#N)ccn2)CC1 ZINC001205280524 967472495 /nfs/dbraw/zinc/47/24/95/967472495.db2.gz BJNDQFGQPKCRBX-CQSZACIVSA-N 2 1 244.342 1.657 20 30 BDEDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(C#N)ccn2)CC1 ZINC001205280524 967472500 /nfs/dbraw/zinc/47/25/00/967472500.db2.gz BJNDQFGQPKCRBX-CQSZACIVSA-N 2 1 244.342 1.657 20 30 BDEDMP N#Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)c(O)c1 ZINC001205052683 967758869 /nfs/dbraw/zinc/75/88/69/967758869.db2.gz ADTMSEZGMFWUEU-UHFFFAOYSA-N 2 1 245.326 1.435 20 30 BDEDMP C=CCNCC[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205984625 967933049 /nfs/dbraw/zinc/93/30/49/967933049.db2.gz SPSVSIIRVWETNP-OLZOCXBDSA-N 2 1 225.380 1.069 20 30 BDEDMP C=CCNCC[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205984625 967933064 /nfs/dbraw/zinc/93/30/64/967933064.db2.gz SPSVSIIRVWETNP-OLZOCXBDSA-N 2 1 225.380 1.069 20 30 BDEDMP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC000829320139 968828075 /nfs/dbraw/zinc/82/80/75/968828075.db2.gz LORYMSYHOZSCQK-LBPRGKRZSA-N 2 1 231.343 1.988 20 30 BDEDMP C=C[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001253587254 969274178 /nfs/dbraw/zinc/27/41/78/969274178.db2.gz JWFHCPGTADNHFO-CYBMUJFWSA-N 2 1 238.375 1.484 20 30 BDEDMP C#CC(C)(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169093571 969382785 /nfs/dbraw/zinc/38/27/85/969382785.db2.gz IRAUGAHEVQEQRE-CNDDSTCGSA-N 2 1 206.333 1.613 20 30 BDEDMP C#CC(C)(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169093571 969382787 /nfs/dbraw/zinc/38/27/87/969382787.db2.gz IRAUGAHEVQEQRE-CNDDSTCGSA-N 2 1 206.333 1.613 20 30 BDEDMP C#CCCC[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001209267612 969420280 /nfs/dbraw/zinc/42/02/80/969420280.db2.gz RSSCIDBUTRWWQM-UHFFFAOYSA-N 2 1 249.358 1.530 20 30 BDEDMP C#C[C@](C)(CC)[NH2+]C1CC[NH+](CC)CC1 ZINC001169230273 969505440 /nfs/dbraw/zinc/50/54/40/969505440.db2.gz VKGMOARYBVMRBL-CYBMUJFWSA-N 2 1 208.349 1.862 20 30 BDEDMP C#C[C@@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209731600 969594067 /nfs/dbraw/zinc/59/40/67/969594067.db2.gz ULJXEIJDFGOEPC-LLVKDONJSA-N 2 1 215.300 1.339 20 30 BDEDMP C#C[C@@H]1CCC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209731600 969594072 /nfs/dbraw/zinc/59/40/72/969594072.db2.gz ULJXEIJDFGOEPC-LLVKDONJSA-N 2 1 215.300 1.339 20 30 BDEDMP C[N@H+]1CCC[C@@H](NC(=[NH2+])c2ccc(F)cn2)C1 ZINC001255470864 970199820 /nfs/dbraw/zinc/19/98/20/970199820.db2.gz UDSOSSUXAHJXNM-SNVBAGLBSA-N 2 1 236.294 1.020 20 30 BDEDMP CCNC(NC[C@H]1CC[N@H+]1C(C)(C)C)=[NH+]CC ZINC000690412889 970515859 /nfs/dbraw/zinc/51/58/59/970515859.db2.gz GMNLLBKHVUYHCY-LLVKDONJSA-N 2 1 240.395 1.434 20 30 BDEDMP C=CCO[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001327416176 972569930 /nfs/dbraw/zinc/56/99/30/972569930.db2.gz PNEWPCNZYKDSBO-HZSPNIEDSA-N 2 1 238.375 1.651 20 30 BDEDMP N#CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC001329022777 973435389 /nfs/dbraw/zinc/43/53/89/973435389.db2.gz DWXQHNZIINPLJC-UONOGXRCSA-N 2 1 245.326 1.558 20 30 BDEDMP C=C(C)C[NH2+]CCNC(=O)CC[N@H+](C)CCC ZINC001148570750 973858827 /nfs/dbraw/zinc/85/88/27/973858827.db2.gz KVYFLWPMOXJWJR-UHFFFAOYSA-N 2 1 241.379 1.000 20 30 BDEDMP C=CC[NH2+]CCCNC(=O)CC[N@H+](C)CCC ZINC001171726068 974141592 /nfs/dbraw/zinc/14/15/92/974141592.db2.gz VHKNJHHMDQKQBC-UHFFFAOYSA-N 2 1 241.379 1.000 20 30 BDEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC(C#N)C1)C2 ZINC001172111609 974376401 /nfs/dbraw/zinc/37/64/01/974376401.db2.gz VTSWQBYWOWPGGR-UMHABRDISA-N 2 1 233.359 1.893 20 30 BDEDMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](C#N)C2)CC1 ZINC000691570680 977159493 /nfs/dbraw/zinc/15/94/93/977159493.db2.gz BFWHEZLTHAGPFO-ZDUSSCGKSA-N 2 1 221.348 1.564 20 30 BDEDMP C=C(C)C[NH+]1CCC(Nc2cc(N)[nH+]cn2)CC1 ZINC001336503675 977732169 /nfs/dbraw/zinc/73/21/69/977732169.db2.gz QMINTLHRBWZFAZ-UHFFFAOYSA-N 2 1 247.346 1.511 20 30 BDEDMP N#Cc1cc[nH]c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321699 979531657 /nfs/dbraw/zinc/53/16/57/979531657.db2.gz LHAIWGDKLDIYGX-BETUJISGSA-N 2 1 244.342 1.318 20 30 BDEDMP C=C(C)C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001346179120 980776996 /nfs/dbraw/zinc/77/69/96/980776996.db2.gz HBUYZKHLLHRCGB-HNNXBMFYSA-N 2 1 248.370 1.645 20 30 BDEDMP C=C(C)C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001346179120 980777004 /nfs/dbraw/zinc/77/70/04/980777004.db2.gz HBUYZKHLLHRCGB-HNNXBMFYSA-N 2 1 248.370 1.645 20 30 BDEDMP C#CCN(C[C@H](O)C[N@H+](C)C(C)C)CC1CC1 ZINC001350366015 981941131 /nfs/dbraw/zinc/94/11/31/981941131.db2.gz VXVZRXVKCXQOMD-CQSZACIVSA-N 2 1 238.375 1.033 20 30 BDEDMP C=CC[N@@H+](CCC[NH2+]C1CC1)[C@@H](C)COC ZINC000691815278 983797900 /nfs/dbraw/zinc/79/79/00/983797900.db2.gz OZHPLFWPEBTFEV-LBPRGKRZSA-N 2 1 226.364 1.651 20 30 BDEDMP C=CC[N@H+](CCC[NH2+]C1CC1)[C@@H](C)COC ZINC000691815278 983797905 /nfs/dbraw/zinc/79/79/05/983797905.db2.gz OZHPLFWPEBTFEV-LBPRGKRZSA-N 2 1 226.364 1.651 20 30 BDEDMP C[C@H]([NH2+]Cc1cc(C#N)ccn1)[C@H]1CCC[NH2+]C1 ZINC001576243319 984160019 /nfs/dbraw/zinc/16/00/19/984160019.db2.gz AAWKCLCOGMSNPA-AAEUAGOBSA-N 2 1 244.342 1.431 20 30 BDEDMP Cn1ncc(C[NH3+])c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001580002300 986398498 /nfs/dbraw/zinc/39/84/98/986398498.db2.gz MPYRANMZUVVBCG-NSHDSACASA-N 2 1 247.346 1.004 20 30 BDEDMP Cn1ncc(C[NH3+])c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001580002300 986398503 /nfs/dbraw/zinc/39/85/03/986398503.db2.gz MPYRANMZUVVBCG-NSHDSACASA-N 2 1 247.346 1.004 20 30 BDEDMP N#Cc1ccnc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC001580080860 986523819 /nfs/dbraw/zinc/52/38/19/986523819.db2.gz JETNSDAPELCEJI-LLVKDONJSA-N 2 1 230.315 1.124 20 30 BDEDMP CC[C@H](CC#N)n1cc[nH+]c1CCC[NH3+] ZINC001255164534 986837652 /nfs/dbraw/zinc/83/76/52/986837652.db2.gz LDQACZBMGMZWEQ-SNVBAGLBSA-N 2 1 206.293 1.639 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246018868 987305357 /nfs/dbraw/zinc/30/53/57/987305357.db2.gz CBSANNOVRZTXQW-STQMWFEESA-N 2 1 244.354 1.466 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246018868 987305361 /nfs/dbraw/zinc/30/53/61/987305361.db2.gz CBSANNOVRZTXQW-STQMWFEESA-N 2 1 244.354 1.466 20 30 BDEDMP C[C@H]1CC[C@H]([NH2+]CCc2ccc(C#N)cc2)C[NH2+]1 ZINC001246192696 987580609 /nfs/dbraw/zinc/58/06/09/987580609.db2.gz XMYQTDFVXZZZLO-WFASDCNBSA-N 2 1 243.354 1.831 20 30 BDEDMP CCCCCCC[C@H](C)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246296707 987688980 /nfs/dbraw/zinc/68/89/80/987688980.db2.gz CEGUDOJMGWHLIP-IHRRRGAJSA-N 2 1 242.407 1.905 20 30 BDEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246357205 987762997 /nfs/dbraw/zinc/76/29/97/987762997.db2.gz KRHQPTKKMILUAC-SWLSCSKDSA-N 2 1 243.354 1.831 20 30 BDEDMP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC001246421748 987795160 /nfs/dbraw/zinc/79/51/60/987795160.db2.gz OOIIYBDVQGIQGU-ONXXMXGDSA-N 2 1 242.326 1.326 20 30 BDEDMP C[C@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)C[C@H]1C[NH3+] ZINC001246539928 987904708 /nfs/dbraw/zinc/90/47/08/987904708.db2.gz IYIGQXZIOUQAJR-NNYUYHANSA-N 2 1 207.321 1.205 20 30 BDEDMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](CC#N)C2)CC[NH2+]1 ZINC001246796687 988466448 /nfs/dbraw/zinc/46/64/48/988466448.db2.gz KCVDKUJFUMGBAW-FRRDWIJNSA-N 2 1 221.348 1.753 20 30 BDEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246859594 988586416 /nfs/dbraw/zinc/58/64/16/988586416.db2.gz LUAUMTCIJFARMC-ACJTYDJDSA-N 2 1 224.348 1.247 20 30 BDEDMP C#CC1CC[NH+]([C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246883935 988650715 /nfs/dbraw/zinc/65/07/15/988650715.db2.gz YQXKHHIZYPOZEL-DGCLKSJQSA-N 2 1 206.333 1.472 20 30 BDEDMP C=CCO[C@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC001326075243 989364970 /nfs/dbraw/zinc/36/49/70/989364970.db2.gz KQHLLOPAXGQQCN-OLZOCXBDSA-N 2 1 226.364 1.637 20 30 BDEDMP C=CCO[C@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC001326075243 989364989 /nfs/dbraw/zinc/36/49/89/989364989.db2.gz KQHLLOPAXGQQCN-OLZOCXBDSA-N 2 1 226.364 1.637 20 30 BDEDMP C=CCC[C@@H](C)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001258720527 991652563 /nfs/dbraw/zinc/65/25/63/991652563.db2.gz ANERTLGATMJTCE-TZMCWYRMSA-N 2 1 237.391 1.354 20 30 BDEDMP C#CC(C)(C)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC001574458451 992863725 /nfs/dbraw/zinc/86/37/25/992863725.db2.gz RFLLYYZLEXFEPY-LBPRGKRZSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CCOCC[N@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001574735235 992897084 /nfs/dbraw/zinc/89/70/84/992897084.db2.gz CZFBJAPYSSZQFX-KGLIPLIRSA-N 2 1 236.359 1.087 20 30 BDEDMP CC(C)[C@@H](C[NH3+])C[NH2+]CC1(C#N)CCOCC1 ZINC001575422762 993040217 /nfs/dbraw/zinc/04/02/17/993040217.db2.gz LWLNCDVUAXNHCT-LBPRGKRZSA-N 2 1 239.363 1.127 20 30 BDEDMP C#CCN(C)[C@H]1CCC[N@@H+](CC#C)CC1 ZINC000156965086 323007111 /nfs/dbraw/zinc/00/71/11/323007111.db2.gz HABVCXQNSXGHCF-ZDUSSCGKSA-N 2 1 204.317 1.039 20 30 BDEDMP C[C@@H](CCC#N)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000602477222 349564205 /nfs/dbraw/zinc/56/42/05/349564205.db2.gz ZHSJRWUQKUNDQW-STQMWFEESA-N 2 1 223.364 1.810 20 30 BDEDMP N#CCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158009118 398340792 /nfs/dbraw/zinc/34/07/92/398340792.db2.gz GHRPZACNHXDBBU-QWHCGFSZSA-N 2 1 221.348 1.897 20 30 BDEDMP N#Cc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000343762017 343294771 /nfs/dbraw/zinc/29/47/71/343294771.db2.gz FNAJAJOBMACZLP-UHFFFAOYSA-N 2 1 215.300 1.529 20 30 BDEDMP CC#CCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158743057 345369318 /nfs/dbraw/zinc/36/93/18/345369318.db2.gz RJFFRSQSJKTLRN-CHWSQXEVSA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158743057 345369321 /nfs/dbraw/zinc/36/93/21/345369321.db2.gz RJFFRSQSJKTLRN-CHWSQXEVSA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158743057 345369323 /nfs/dbraw/zinc/36/93/23/345369323.db2.gz RJFFRSQSJKTLRN-CHWSQXEVSA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158743057 345369325 /nfs/dbraw/zinc/36/93/25/345369325.db2.gz RJFFRSQSJKTLRN-CHWSQXEVSA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158743057 345369328 /nfs/dbraw/zinc/36/93/28/345369328.db2.gz RJFFRSQSJKTLRN-CHWSQXEVSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1O ZINC000295019125 187362920 /nfs/dbraw/zinc/36/29/20/187362920.db2.gz NMJVUNAENMREAL-ZDUSSCGKSA-N 2 1 246.354 1.998 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1O ZINC000295019125 187362922 /nfs/dbraw/zinc/36/29/22/187362922.db2.gz NMJVUNAENMREAL-ZDUSSCGKSA-N 2 1 246.354 1.998 20 30 BDEDMP Cn1cc(C[NH2+]CCC[NH+]2CCC2)cc1C#N ZINC000577124098 365828483 /nfs/dbraw/zinc/82/84/83/365828483.db2.gz GPUSWKVHYOOCQT-UHFFFAOYSA-N 2 1 232.331 1.082 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000309818094 347174950 /nfs/dbraw/zinc/17/49/50/347174950.db2.gz VSMRCPBWBJDGQT-AVGNSLFASA-N 2 1 226.364 1.243 20 30 BDEDMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000310040502 347222656 /nfs/dbraw/zinc/22/26/56/347222656.db2.gz XSWXEHGDFKZIFN-XQQFMLRXSA-N 2 1 223.364 1.999 20 30 BDEDMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000310040502 347222660 /nfs/dbraw/zinc/22/26/60/347222660.db2.gz XSWXEHGDFKZIFN-XQQFMLRXSA-N 2 1 223.364 1.999 20 30 BDEDMP C[C@@H]([NH3+])C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592471533 347790178 /nfs/dbraw/zinc/79/01/78/347790178.db2.gz XJPHMWVTZMWAJN-LLVKDONJSA-N 2 1 244.342 1.512 20 30 BDEDMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccc(C#N)c1 ZINC000592984609 347836442 /nfs/dbraw/zinc/83/64/42/347836442.db2.gz DOIDWYRRCUBIMC-ZDUSSCGKSA-N 2 1 217.316 1.631 20 30 BDEDMP N#Cc1ccc(CC[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000595890226 348389922 /nfs/dbraw/zinc/38/99/22/348389922.db2.gz DJOFSPNIXFIBHQ-AWEZNQCLSA-N 2 1 229.327 1.381 20 30 BDEDMP C=CCOCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000303552222 490167035 /nfs/dbraw/zinc/16/70/35/490167035.db2.gz XARKEQDEORXRFA-STQMWFEESA-N 2 1 224.348 1.405 20 30 BDEDMP CC#CCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000155921994 191082323 /nfs/dbraw/zinc/08/23/23/191082323.db2.gz JYSVNJRGYMGKSX-UHFFFAOYSA-N 2 1 208.349 1.816 20 30 BDEDMP CC#CCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000155921994 191082325 /nfs/dbraw/zinc/08/23/25/191082325.db2.gz JYSVNJRGYMGKSX-UHFFFAOYSA-N 2 1 208.349 1.816 20 30 BDEDMP CC#CCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365405595 350268716 /nfs/dbraw/zinc/26/87/16/350268716.db2.gz SUKCBPCLFAKFFI-ZDUSSCGKSA-N 2 1 208.349 1.816 20 30 BDEDMP Cc1ccc(NCCC[NH2+]CCC#N)[nH+]c1 ZINC000571908757 323495235 /nfs/dbraw/zinc/49/52/35/323495235.db2.gz CDQGCVYKWLBLSQ-UHFFFAOYSA-N 2 1 218.304 1.117 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000278658185 351775645 /nfs/dbraw/zinc/77/56/45/351775645.db2.gz IOELMOJBRCXSBI-OLZOCXBDSA-N 2 1 232.331 1.864 20 30 BDEDMP Cn1c[nH+]cc1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000379428787 358483746 /nfs/dbraw/zinc/48/37/46/358483746.db2.gz DBVPOGOXEVIYNR-QWRGUYRKSA-N 2 1 218.304 1.244 20 30 BDEDMP COc1cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])ccc1C#N ZINC000423124304 192576551 /nfs/dbraw/zinc/57/65/51/192576551.db2.gz OEGWBCNYIUPSKO-OLZOCXBDSA-N 2 1 245.326 1.536 20 30 BDEDMP C[NH+](C)CCC1CC[NH+](CCC#N)CC1 ZINC000056522736 358899584 /nfs/dbraw/zinc/89/95/84/358899584.db2.gz WPEQRFOZSUCJMO-UHFFFAOYSA-N 2 1 209.337 1.564 20 30 BDEDMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423313623 192700602 /nfs/dbraw/zinc/70/06/02/192700602.db2.gz FYLOXVVRIPQCMZ-IINYFYTJSA-N 2 1 229.327 1.946 20 30 BDEDMP C=CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835003 359225427 /nfs/dbraw/zinc/22/54/27/359225427.db2.gz YZXHZTMWTZPLAI-CYBMUJFWSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835003 359225429 /nfs/dbraw/zinc/22/54/29/359225429.db2.gz YZXHZTMWTZPLAI-CYBMUJFWSA-N 2 1 208.349 1.980 20 30 BDEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248155885 359256097 /nfs/dbraw/zinc/25/60/97/359256097.db2.gz RJFFRSQSJKTLRN-QWHCGFSZSA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248155885 359256101 /nfs/dbraw/zinc/25/61/01/359256101.db2.gz RJFFRSQSJKTLRN-QWHCGFSZSA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248155885 359256105 /nfs/dbraw/zinc/25/61/05/359256105.db2.gz RJFFRSQSJKTLRN-QWHCGFSZSA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248155885 359256112 /nfs/dbraw/zinc/25/61/12/359256112.db2.gz RJFFRSQSJKTLRN-QWHCGFSZSA-N 2 1 206.333 1.426 20 30 BDEDMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000429680654 201127055 /nfs/dbraw/zinc/12/70/55/201127055.db2.gz IRCZAASWMDXNBE-HZSPNIEDSA-N 2 1 235.375 1.952 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000429680654 201127058 /nfs/dbraw/zinc/12/70/58/201127058.db2.gz IRCZAASWMDXNBE-HZSPNIEDSA-N 2 1 235.375 1.952 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000429680654 201127062 /nfs/dbraw/zinc/12/70/62/201127062.db2.gz IRCZAASWMDXNBE-HZSPNIEDSA-N 2 1 235.375 1.952 20 30 BDEDMP C=CC[C@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000629550534 361443142 /nfs/dbraw/zinc/44/31/42/361443142.db2.gz OCGIDDPTWVDVIC-STQMWFEESA-N 2 1 236.359 1.405 20 30 BDEDMP C=CCC[C@H](CC)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154346597 201274919 /nfs/dbraw/zinc/27/49/19/201274919.db2.gz IIXCPFQTEGCBKC-NWDGAFQWSA-N 2 1 214.353 1.243 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000438203872 201398396 /nfs/dbraw/zinc/39/83/96/201398396.db2.gz TZRPICRPXUUOQC-CYBMUJFWSA-N 2 1 238.375 1.653 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000384668449 367714256 /nfs/dbraw/zinc/71/42/56/367714256.db2.gz XKXXOGSLLOWPBD-YNEHKIRRSA-N 2 1 224.348 1.097 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000384668449 367714259 /nfs/dbraw/zinc/71/42/59/367714259.db2.gz XKXXOGSLLOWPBD-YNEHKIRRSA-N 2 1 224.348 1.097 20 30 BDEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)o1 ZINC000600770092 369565840 /nfs/dbraw/zinc/56/58/40/369565840.db2.gz UPUUIQXYVNXURP-BPNCWPANSA-N 2 1 245.326 1.710 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)o1 ZINC000600770092 369565844 /nfs/dbraw/zinc/56/58/44/369565844.db2.gz UPUUIQXYVNXURP-BPNCWPANSA-N 2 1 245.326 1.710 20 30 BDEDMP N#Cc1cccc(C[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000600775369 369566219 /nfs/dbraw/zinc/56/62/19/369566219.db2.gz NGGJSPUJIZTLLR-UHFFFAOYSA-N 2 1 245.326 1.156 20 30 BDEDMP C[NH2+]CCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000061941945 369885749 /nfs/dbraw/zinc/88/57/49/369885749.db2.gz SRANZVYTPHYOLY-UHFFFAOYSA-N 2 1 217.316 1.600 20 30 BDEDMP C[NH2+]CCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000061941945 369885753 /nfs/dbraw/zinc/88/57/53/369885753.db2.gz SRANZVYTPHYOLY-UHFFFAOYSA-N 2 1 217.316 1.600 20 30 BDEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCC#N ZINC000167257071 206145358 /nfs/dbraw/zinc/14/53/58/206145358.db2.gz MAOZOVUBERVUEW-UPJWGTAASA-N 2 1 223.364 1.999 20 30 BDEDMP C#CC[NH+](C)CCC(C)CC[N@@H+](C)CC#C ZINC000298499811 383903206 /nfs/dbraw/zinc/90/32/06/383903206.db2.gz KBDNPABVXGRAFX-UHFFFAOYSA-N 2 1 220.360 1.533 20 30 BDEDMP N#CCC[C@H](C#N)CN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000569568924 384258216 /nfs/dbraw/zinc/25/82/16/384258216.db2.gz SLSDOFFSRIOMHL-MCIONIFRSA-N 2 1 246.358 1.646 20 30 BDEDMP N#CCC[C@H](C#N)CN[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000569568925 384258346 /nfs/dbraw/zinc/25/83/46/384258346.db2.gz SLSDOFFSRIOMHL-MGPQQGTHSA-N 2 1 246.358 1.646 20 30 BDEDMP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(C#N)cc1 ZINC000423443528 384563973 /nfs/dbraw/zinc/56/39/73/384563973.db2.gz VQOSGOXGMNLBLH-LJISPDSOSA-N 2 1 241.338 1.817 20 30 BDEDMP C=C(C)COCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090450826 384821505 /nfs/dbraw/zinc/82/15/05/384821505.db2.gz FPEYFCWGWXUOCT-ZIAGYGMSSA-N 2 1 238.375 1.796 20 30 BDEDMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000309973704 384975598 /nfs/dbraw/zinc/97/55/98/384975598.db2.gz REBCERXJECLDBG-CHWSQXEVSA-N 2 1 219.332 1.530 20 30 BDEDMP C[C@H](C[NH2+]Cc1cccc(C#N)c1)C[NH+](C)C ZINC000291737153 385939816 /nfs/dbraw/zinc/93/98/16/385939816.db2.gz OKJXFOYAVAJNNT-GFCCVEGCSA-N 2 1 231.343 1.846 20 30 BDEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000414169154 386015843 /nfs/dbraw/zinc/01/58/43/386015843.db2.gz ROGSOVNGSJSGSC-NEPJUHHUSA-N 2 1 223.364 1.856 20 30 BDEDMP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001172491600 974837139 /nfs/dbraw/zinc/83/71/39/974837139.db2.gz OFAJQYALYBBWDE-UPJWGTAASA-N 2 1 223.364 1.999 20 30 BDEDMP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001172491600 974837143 /nfs/dbraw/zinc/83/71/43/974837143.db2.gz OFAJQYALYBBWDE-UPJWGTAASA-N 2 1 223.364 1.999 20 30 BDEDMP N#CC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000335447296 386514476 /nfs/dbraw/zinc/51/44/76/386514476.db2.gz DAAPWEOGLNBEIV-GFCCVEGCSA-N 2 1 207.321 1.222 20 30 BDEDMP C=CCOc1ccc(C[NH2+][C@H](C)C[NH3+])cc1 ZINC000414927449 386682654 /nfs/dbraw/zinc/68/26/54/386682654.db2.gz LFAJWBSWHCSQPH-LLVKDONJSA-N 2 1 220.316 1.688 20 30 BDEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000229604947 387186156 /nfs/dbraw/zinc/18/61/56/387186156.db2.gz FOKZKBBPXHVTEY-RYUDHWBXSA-N 2 1 221.348 1.610 20 30 BDEDMP C=CC[N@@H+](CCn1cc[nH+]c1C)C1CC1 ZINC000271533700 387445619 /nfs/dbraw/zinc/44/56/19/387445619.db2.gz XQBLOKJTYBWYHS-UHFFFAOYSA-N 2 1 205.305 1.842 20 30 BDEDMP C=CC[N@H+](CCn1cc[nH+]c1C)C1CC1 ZINC000271533700 387445624 /nfs/dbraw/zinc/44/56/24/387445624.db2.gz XQBLOKJTYBWYHS-UHFFFAOYSA-N 2 1 205.305 1.842 20 30 BDEDMP C=C(C)CN1CCC([NH2+][C@H](C)C[C@H](C)[NH3+])CC1 ZINC000422983488 387794283 /nfs/dbraw/zinc/79/42/83/387794283.db2.gz ZRPVBJJKPPROGP-QWHCGFSZSA-N 2 1 239.407 1.742 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C1(C)CC1 ZINC000328087346 387865179 /nfs/dbraw/zinc/86/51/79/387865179.db2.gz HXDDBGBKYSBYCT-GFCCVEGCSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C1(C)CC1 ZINC000328087346 387865184 /nfs/dbraw/zinc/86/51/84/387865184.db2.gz HXDDBGBKYSBYCT-GFCCVEGCSA-N 2 1 208.349 1.720 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000453350590 388053584 /nfs/dbraw/zinc/05/35/84/388053584.db2.gz LOMPVHLPAHDFOM-DGAVXFQQSA-N 2 1 238.375 1.792 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000453350590 388053588 /nfs/dbraw/zinc/05/35/88/388053588.db2.gz LOMPVHLPAHDFOM-DGAVXFQQSA-N 2 1 238.375 1.792 20 30 BDEDMP C=CCCCC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000449245211 388161467 /nfs/dbraw/zinc/16/14/67/388161467.db2.gz ZFZPFGXNNDIEGK-UONOGXRCSA-N 2 1 240.391 1.778 20 30 BDEDMP C=CCCCC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000449245211 388161469 /nfs/dbraw/zinc/16/14/69/388161469.db2.gz ZFZPFGXNNDIEGK-UONOGXRCSA-N 2 1 240.391 1.778 20 30 BDEDMP C#CCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000490780853 388254520 /nfs/dbraw/zinc/25/45/20/388254520.db2.gz SDOAUZQPUPHKFM-CYBMUJFWSA-N 2 1 206.333 1.283 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000451611464 388283704 /nfs/dbraw/zinc/28/37/04/388283704.db2.gz WXRWQZMSHZEXOL-OLZOCXBDSA-N 2 1 235.331 1.515 20 30 BDEDMP C#CC[N@@H+](CC)CCCc1cncn1C ZINC000491625915 388305709 /nfs/dbraw/zinc/30/57/09/388305709.db2.gz RZYNHBDQKNUSPN-UHFFFAOYSA-N 2 1 205.305 1.308 20 30 BDEDMP C#CC[N@H+](CC)CCCc1c[nH+]cn1C ZINC000491625915 388305710 /nfs/dbraw/zinc/30/57/10/388305710.db2.gz RZYNHBDQKNUSPN-UHFFFAOYSA-N 2 1 205.305 1.308 20 30 BDEDMP C#CC[N@@H+](CC)CCCc1c[nH+]cn1C ZINC000491625915 388305711 /nfs/dbraw/zinc/30/57/11/388305711.db2.gz RZYNHBDQKNUSPN-UHFFFAOYSA-N 2 1 205.305 1.308 20 30 BDEDMP CC[N@H+](CCCc1c[nH+]cn1C)C[C@@H](C)C#N ZINC000314308864 388398103 /nfs/dbraw/zinc/39/81/03/388398103.db2.gz FWZRFZHBIYVSFR-LBPRGKRZSA-N 2 1 234.347 1.834 20 30 BDEDMP CC[N@@H+](CCCc1c[nH+]cn1C)C[C@@H](C)C#N ZINC000314308864 388398106 /nfs/dbraw/zinc/39/81/06/388398106.db2.gz FWZRFZHBIYVSFR-LBPRGKRZSA-N 2 1 234.347 1.834 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C(C)C)C1CC1 ZINC000393483345 388431534 /nfs/dbraw/zinc/43/15/34/388431534.db2.gz LJZLUXXJNVZFIX-CQSZACIVSA-N 2 1 222.376 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C(C)C)C1CC1 ZINC000393483345 388431535 /nfs/dbraw/zinc/43/15/35/388431535.db2.gz LJZLUXXJNVZFIX-CQSZACIVSA-N 2 1 222.376 1.966 20 30 BDEDMP C[N@@H+](Cc1ccc(C#N)cc1)CC(C)(C)C[NH3+] ZINC000093872926 388746994 /nfs/dbraw/zinc/74/69/94/388746994.db2.gz SZOKBXMVZACCQR-UHFFFAOYSA-N 2 1 231.343 1.975 20 30 BDEDMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000423201204 388687968 /nfs/dbraw/zinc/68/79/68/388687968.db2.gz NYMOKAYQNNKOCY-SNVBAGLBSA-N 2 1 235.306 1.957 20 30 BDEDMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423313612 388691771 /nfs/dbraw/zinc/69/17/71/388691771.db2.gz FYLOXVVRIPQCMZ-HZMBPMFUSA-N 2 1 229.327 1.946 20 30 BDEDMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423455780 388692965 /nfs/dbraw/zinc/69/29/65/388692965.db2.gz CVQBWJPQTLAMRN-GXFFZTMASA-N 2 1 217.316 1.946 20 30 BDEDMP C[C@H](CCCC#N)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001172495149 974845931 /nfs/dbraw/zinc/84/59/31/974845931.db2.gz NEFJFUHJAZWLAA-MCIONIFRSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCCC#N)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172495149 974845925 /nfs/dbraw/zinc/84/59/25/974845925.db2.gz NEFJFUHJAZWLAA-MCIONIFRSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCCC#N)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001172495149 974845935 /nfs/dbraw/zinc/84/59/35/974845935.db2.gz NEFJFUHJAZWLAA-MCIONIFRSA-N 2 1 235.375 1.952 20 30 BDEDMP C=C(C)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371296066 134228256 /nfs/dbraw/zinc/22/82/56/134228256.db2.gz WSBHFBKCXDHXCH-MELADBBJSA-N 2 1 238.375 1.746 20 30 BDEDMP C=CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CC1 ZINC000121055355 134231093 /nfs/dbraw/zinc/23/10/93/134231093.db2.gz BDERWNGYUCSGLS-STQMWFEESA-N 2 1 226.364 1.243 20 30 BDEDMP C=C(C)CNC(=[NH2+])NCC[N@H+](C)[C@@H](C)CC ZINC000264324777 135137992 /nfs/dbraw/zinc/13/79/92/135137992.db2.gz YMIXBFKNAMQLLG-NSHDSACASA-N 2 1 226.368 1.197 20 30 BDEDMP Cc1[nH+]ccn1CCNC(=[NH2+])NC1CCCC1 ZINC000261548958 135187649 /nfs/dbraw/zinc/18/76/49/135187649.db2.gz KBGGGCOMKOEXMV-UHFFFAOYSA-N 2 1 235.335 1.038 20 30 BDEDMP C[C@H](CNC1=[NH+]C[C@@H](C)N1)[N@H+]1CCCC[C@H]1C ZINC000262625768 135309803 /nfs/dbraw/zinc/30/98/03/135309803.db2.gz DJXXRDHKSLSYAU-IJLUTSLNSA-N 2 1 238.379 1.187 20 30 BDEDMP C=C(C)CNC(=[NH2+])NCC[N@H+]1CCCC1(C)C ZINC000263036228 135328539 /nfs/dbraw/zinc/32/85/39/135328539.db2.gz BVGPUHJSCZKFQG-UHFFFAOYSA-N 2 1 238.379 1.341 20 30 BDEDMP [NH2+]=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CCC1 ZINC000263061326 135329510 /nfs/dbraw/zinc/32/95/10/135329510.db2.gz FPJODKODKHUTDF-LBPRGKRZSA-N 2 1 236.363 1.024 20 30 BDEDMP C=CCOCCC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000348035500 136028360 /nfs/dbraw/zinc/02/83/60/136028360.db2.gz OVSTWEURLDGKMX-CQSZACIVSA-N 2 1 240.391 1.853 20 30 BDEDMP C=CCOCCC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000348035500 136028361 /nfs/dbraw/zinc/02/83/61/136028361.db2.gz OVSTWEURLDGKMX-CQSZACIVSA-N 2 1 240.391 1.853 20 30 BDEDMP C=CCOCCC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000348035500 136028362 /nfs/dbraw/zinc/02/83/62/136028362.db2.gz OVSTWEURLDGKMX-CQSZACIVSA-N 2 1 240.391 1.853 20 30 BDEDMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CC[NH2+]1 ZINC000335384948 136088690 /nfs/dbraw/zinc/08/86/90/136088690.db2.gz ISPRSULPGASORF-BXUZGUMPSA-N 2 1 229.327 1.788 20 30 BDEDMP C=CCOCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000643479648 398106835 /nfs/dbraw/zinc/10/68/35/398106835.db2.gz XYEMXKYKWWSTME-JTQLQIEISA-N 2 1 221.304 1.347 20 30 BDEDMP C=CCC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660402504 411580247 /nfs/dbraw/zinc/58/02/47/411580247.db2.gz UZFJWCXMOVVWJO-GFCCVEGCSA-N 2 1 214.353 1.195 20 30 BDEDMP C=CCC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000660402504 411580249 /nfs/dbraw/zinc/58/02/49/411580249.db2.gz UZFJWCXMOVVWJO-GFCCVEGCSA-N 2 1 214.353 1.195 20 30 BDEDMP C=CCC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000660402504 411580250 /nfs/dbraw/zinc/58/02/50/411580250.db2.gz UZFJWCXMOVVWJO-GFCCVEGCSA-N 2 1 214.353 1.195 20 30 BDEDMP C=CC[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000661380173 411763184 /nfs/dbraw/zinc/76/31/84/411763184.db2.gz BSHIWLWFFATOPY-KGLIPLIRSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000661380173 411763186 /nfs/dbraw/zinc/76/31/86/411763186.db2.gz BSHIWLWFFATOPY-KGLIPLIRSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000661380173 411763187 /nfs/dbraw/zinc/76/31/87/411763187.db2.gz BSHIWLWFFATOPY-KGLIPLIRSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CCCC[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254263 412049152 /nfs/dbraw/zinc/04/91/52/412049152.db2.gz GNFVERNUFDUWCX-GFCCVEGCSA-N 2 1 224.348 1.405 20 30 BDEDMP CC#CCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323247 412099666 /nfs/dbraw/zinc/09/96/66/412099666.db2.gz NBPSWTWWXLNGII-CQSZACIVSA-N 2 1 238.375 1.442 20 30 BDEDMP C=C(CC)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325296 412102502 /nfs/dbraw/zinc/10/25/02/412102502.db2.gz LCIHGRLMJHJHEV-CQSZACIVSA-N 2 1 240.391 1.995 20 30 BDEDMP C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000649330175 487734416 /nfs/dbraw/zinc/73/44/16/487734416.db2.gz SHCBBTMQDZHTIK-ZIAGYGMSSA-N 2 1 240.391 1.587 20 30 BDEDMP C=C(C)[C@@H](CO)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000649330175 487734419 /nfs/dbraw/zinc/73/44/19/487734419.db2.gz SHCBBTMQDZHTIK-ZIAGYGMSSA-N 2 1 240.391 1.587 20 30 BDEDMP C#C[C@H]([NH2+]C1CC[NH+](CC)CC1)C(C)C ZINC000300967912 527410087 /nfs/dbraw/zinc/41/00/87/527410087.db2.gz RTRGASFEGWMQDY-ZDUSSCGKSA-N 2 1 208.349 1.718 20 30 BDEDMP CC#CC[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000245427698 323006256 /nfs/dbraw/zinc/00/62/56/323006256.db2.gz MBZFUNSLEBLHRZ-STQMWFEESA-N 2 1 208.349 1.672 20 30 BDEDMP CC#CC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245427698 323006253 /nfs/dbraw/zinc/00/62/53/323006253.db2.gz MBZFUNSLEBLHRZ-STQMWFEESA-N 2 1 208.349 1.672 20 30 BDEDMP CC#CC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245427698 323006254 /nfs/dbraw/zinc/00/62/54/323006254.db2.gz MBZFUNSLEBLHRZ-STQMWFEESA-N 2 1 208.349 1.672 20 30 BDEDMP CC#CC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000245427698 323006255 /nfs/dbraw/zinc/00/62/55/323006255.db2.gz MBZFUNSLEBLHRZ-STQMWFEESA-N 2 1 208.349 1.672 20 30 BDEDMP C#CCN(C)[C@H]1CCC[N@H+](CC#C)CC1 ZINC000156965086 323007110 /nfs/dbraw/zinc/00/71/10/323007110.db2.gz HABVCXQNSXGHCF-ZDUSSCGKSA-N 2 1 204.317 1.039 20 30 BDEDMP Cc1[nH+]ccn1CCCC[NH2+]CCC#N ZINC000570201669 323052365 /nfs/dbraw/zinc/05/23/65/323052365.db2.gz BFADIRWMUJJYKC-UHFFFAOYSA-N 2 1 206.293 1.475 20 30 BDEDMP C=C(C)[C@H](CO)[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000677480319 488050370 /nfs/dbraw/zinc/05/03/70/488050370.db2.gz XBKIZDQKIOTEBT-KBPBESRZSA-N 2 1 240.391 1.587 20 30 BDEDMP C=C(C)[C@H](CO)[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000677480319 488050372 /nfs/dbraw/zinc/05/03/72/488050372.db2.gz XBKIZDQKIOTEBT-KBPBESRZSA-N 2 1 240.391 1.587 20 30 BDEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000677480319 488050375 /nfs/dbraw/zinc/05/03/75/488050375.db2.gz XBKIZDQKIOTEBT-KBPBESRZSA-N 2 1 240.391 1.587 20 30 BDEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000677480319 488050378 /nfs/dbraw/zinc/05/03/78/488050378.db2.gz XBKIZDQKIOTEBT-KBPBESRZSA-N 2 1 240.391 1.587 20 30 BDEDMP CC[N@@H+]1CC[C@H]([NH+](C)CC#CCOC)[C@H](C)C1 ZINC000677819290 488133878 /nfs/dbraw/zinc/13/38/78/488133878.db2.gz WOVYJXANFSZIME-KGLIPLIRSA-N 2 1 238.375 1.298 20 30 BDEDMP CC[N@H+]1CC[C@H]([NH+](C)CC#CCOC)[C@H](C)C1 ZINC000677819290 488133884 /nfs/dbraw/zinc/13/38/84/488133884.db2.gz WOVYJXANFSZIME-KGLIPLIRSA-N 2 1 238.375 1.298 20 30 BDEDMP CC[NH+]1CC[C@H]([N@H+](C)CC#CCOC)[C@H](C)C1 ZINC000677819290 488133887 /nfs/dbraw/zinc/13/38/87/488133887.db2.gz WOVYJXANFSZIME-KGLIPLIRSA-N 2 1 238.375 1.298 20 30 BDEDMP CC[NH+]1CC[C@H]([N@@H+](C)CC#CCOC)[C@H](C)C1 ZINC000677819290 488133894 /nfs/dbraw/zinc/13/38/94/488133894.db2.gz WOVYJXANFSZIME-KGLIPLIRSA-N 2 1 238.375 1.298 20 30 BDEDMP C=C(C)[C@@H](CO)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000680076261 487533878 /nfs/dbraw/zinc/53/38/78/487533878.db2.gz KVTGADIKXWTJPX-CYBMUJFWSA-N 2 1 238.375 1.484 20 30 BDEDMP C=C(C)[C@@H](CO)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000680076261 487533882 /nfs/dbraw/zinc/53/38/82/487533882.db2.gz KVTGADIKXWTJPX-CYBMUJFWSA-N 2 1 238.375 1.484 20 30 BDEDMP C[NH+](C)[C@H]1CCC[N@H+](CCCC#N)CC1 ZINC000372988462 536137581 /nfs/dbraw/zinc/13/75/81/536137581.db2.gz DDOUIKMBZGSVSE-LBPRGKRZSA-N 2 1 209.337 1.706 20 30 BDEDMP C[NH+](C)[C@H]1CCC[N@@H+](CCCC#N)CC1 ZINC000372988462 536137583 /nfs/dbraw/zinc/13/75/83/536137583.db2.gz DDOUIKMBZGSVSE-LBPRGKRZSA-N 2 1 209.337 1.706 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000341882369 534400852 /nfs/dbraw/zinc/40/08/52/534400852.db2.gz HBGCUVHNWZUFKZ-BFHYXJOUSA-N 2 1 238.375 1.387 20 30 BDEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N[C@@H]1C[C@H]1C ZINC000262836906 535262887 /nfs/dbraw/zinc/26/28/87/535262887.db2.gz SRTXUQOCZCAIDR-ZYHUDNBSSA-N 2 1 249.362 1.155 20 30 BDEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N[C@H]1C[C@H]1C ZINC000262836902 535262974 /nfs/dbraw/zinc/26/29/74/535262974.db2.gz SRTXUQOCZCAIDR-PWSUYJOCSA-N 2 1 249.362 1.155 20 30 BDEDMP CC[N@H+]1CCCC[C@@H]1C[NH+]=C(N(C)C)N(C)C ZINC000262534346 535476438 /nfs/dbraw/zinc/47/64/38/535476438.db2.gz PCOYJCIZNJMBLG-GFCCVEGCSA-N 2 1 240.395 1.340 20 30 BDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CC1(C)C ZINC000261965200 535549110 /nfs/dbraw/zinc/54/91/10/535549110.db2.gz AXPYALNMDPMAFM-MNOVXSKESA-N 2 1 238.379 1.174 20 30 BDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(C)C ZINC000104152751 583106931 /nfs/dbraw/zinc/10/69/31/583106931.db2.gz VNVYNHROUKFNMQ-LBPRGKRZSA-N 2 1 240.395 1.421 20 30 BDEDMP C=CCCC[N@H+](CC)CCN1CC[NH2+]CC1 ZINC000903850659 584808144 /nfs/dbraw/zinc/80/81/44/584808144.db2.gz WUPLGTAGDHFFNT-UHFFFAOYSA-N 2 1 225.380 1.180 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903871773 584815251 /nfs/dbraw/zinc/81/52/51/584815251.db2.gz VETUXAKVMNJSKO-STQMWFEESA-N 2 1 224.348 1.141 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903871773 584815252 /nfs/dbraw/zinc/81/52/52/584815252.db2.gz VETUXAKVMNJSKO-STQMWFEESA-N 2 1 224.348 1.141 20 30 BDEDMP C=C(Cl)C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000757644413 585343631 /nfs/dbraw/zinc/34/36/31/585343631.db2.gz VXAHJXXGSCVQNG-SNVBAGLBSA-N 2 1 225.723 1.962 20 30 BDEDMP C#CCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000760861093 585400334 /nfs/dbraw/zinc/40/03/34/585400334.db2.gz APBUKRJRIMDYLK-OLZOCXBDSA-N 2 1 208.349 1.672 20 30 BDEDMP C#CCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000760861093 585400335 /nfs/dbraw/zinc/40/03/35/585400335.db2.gz APBUKRJRIMDYLK-OLZOCXBDSA-N 2 1 208.349 1.672 20 30 BDEDMP C#CCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000760861093 585400336 /nfs/dbraw/zinc/40/03/36/585400336.db2.gz APBUKRJRIMDYLK-OLZOCXBDSA-N 2 1 208.349 1.672 20 30 BDEDMP CC(=NNC1=NC[C@H](C)N1)c1ccc(N)cc1C ZINC000779794738 585764518 /nfs/dbraw/zinc/76/45/18/585764518.db2.gz MKNMDFNODBFKPX-VIFPVBQESA-N 2 1 245.330 1.239 20 30 BDEDMP C[C@H](C#N)OCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000801951009 586282567 /nfs/dbraw/zinc/28/25/67/586282567.db2.gz RGAZKCXJPJYSFD-OLZOCXBDSA-N 2 1 239.363 1.331 20 30 BDEDMP C[C@H](C#N)OCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000801951009 586282568 /nfs/dbraw/zinc/28/25/68/586282568.db2.gz RGAZKCXJPJYSFD-OLZOCXBDSA-N 2 1 239.363 1.331 20 30 BDEDMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000817972208 586859748 /nfs/dbraw/zinc/85/97/48/586859748.db2.gz KCWKHYLKAKKGLJ-GHMZBOCLSA-N 2 1 233.315 1.587 20 30 BDEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC000848720616 588408323 /nfs/dbraw/zinc/40/83/23/588408323.db2.gz PZXLYMAGVZXCEF-VXGBXAGGSA-N 2 1 230.315 1.313 20 30 BDEDMP C=C(C)CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000849035938 588445018 /nfs/dbraw/zinc/44/50/18/588445018.db2.gz IWBMFDRRWDEXOO-LBPRGKRZSA-N 2 1 238.379 1.551 20 30 BDEDMP CCNC(NCC[N@H+]1CCCC1(C)C)=[NH+]CC ZINC000849039378 588446888 /nfs/dbraw/zinc/44/68/88/588446888.db2.gz URSRKYIEOMOFGV-UHFFFAOYSA-N 2 1 240.395 1.436 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C1CC(CF)(CF)C1 ZINC000850471471 588549191 /nfs/dbraw/zinc/54/91/91/588549191.db2.gz QOBFQPJPZGVMSI-UHFFFAOYSA-N 2 1 244.329 1.619 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CC(CF)(CF)C1 ZINC000850471471 588549193 /nfs/dbraw/zinc/54/91/93/588549193.db2.gz QOBFQPJPZGVMSI-UHFFFAOYSA-N 2 1 244.329 1.619 20 30 BDEDMP C#CCOCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000851780852 588627207 /nfs/dbraw/zinc/62/72/07/588627207.db2.gz LRDCIZKLTYBTQX-CQSZACIVSA-N 2 1 236.359 1.054 20 30 BDEDMP C#CCOCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000851780852 588627208 /nfs/dbraw/zinc/62/72/08/588627208.db2.gz LRDCIZKLTYBTQX-CQSZACIVSA-N 2 1 236.359 1.054 20 30 BDEDMP C#CCOCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000851889935 588641008 /nfs/dbraw/zinc/64/10/08/588641008.db2.gz HPOHZJOECOJTDV-UHFFFAOYSA-N 2 1 236.359 1.196 20 30 BDEDMP C#CCOCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000851889935 588641009 /nfs/dbraw/zinc/64/10/09/588641009.db2.gz HPOHZJOECOJTDV-UHFFFAOYSA-N 2 1 236.359 1.196 20 30 BDEDMP C=C(Cl)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000852746305 588699179 /nfs/dbraw/zinc/69/91/79/588699179.db2.gz HTHDSIQOTGBFFM-UHFFFAOYSA-N 2 1 214.740 1.814 20 30 BDEDMP CC[N@@H+]1CCC(=[NH+]n2cccn2)[C@@H](C)C1 ZINC000863165602 589267027 /nfs/dbraw/zinc/26/70/27/589267027.db2.gz HGECQDQPIIVRRC-JTQLQIEISA-N 2 1 206.293 1.449 20 30 BDEDMP CC[N@H+]1CCC(=[NH+]n2cccn2)[C@@H](C)C1 ZINC000863165602 589267028 /nfs/dbraw/zinc/26/70/28/589267028.db2.gz HGECQDQPIIVRRC-JTQLQIEISA-N 2 1 206.293 1.449 20 30 BDEDMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)CC[C@H]21 ZINC000866585721 589501544 /nfs/dbraw/zinc/50/15/44/589501544.db2.gz SVOJRYFLNBOPDO-AAVRWANBSA-N 2 1 233.359 1.705 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)CC[C@H]21 ZINC000866585721 589501546 /nfs/dbraw/zinc/50/15/46/589501546.db2.gz SVOJRYFLNBOPDO-AAVRWANBSA-N 2 1 233.359 1.705 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C#N)C3)CC[C@H]21 ZINC000866585721 589501548 /nfs/dbraw/zinc/50/15/48/589501548.db2.gz SVOJRYFLNBOPDO-AAVRWANBSA-N 2 1 233.359 1.705 20 30 BDEDMP C[N@@H+]1CC[C@@H]2C[NH+](CC3(CC#N)CC3)CC[C@H]21 ZINC000879578040 590812406 /nfs/dbraw/zinc/81/24/06/590812406.db2.gz AGXNASIUJAUYHS-CHWSQXEVSA-N 2 1 233.359 1.706 20 30 BDEDMP C[N@H+]1CC[C@@H]2C[NH+](CC3(CC#N)CC3)CC[C@H]21 ZINC000879578040 590812407 /nfs/dbraw/zinc/81/24/07/590812407.db2.gz AGXNASIUJAUYHS-CHWSQXEVSA-N 2 1 233.359 1.706 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@H+](CC3(CC#N)CC3)CC[C@H]21 ZINC000879578040 590812410 /nfs/dbraw/zinc/81/24/10/590812410.db2.gz AGXNASIUJAUYHS-CHWSQXEVSA-N 2 1 233.359 1.706 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@@H+](CC3(CC#N)CC3)CC[C@H]21 ZINC000879578040 590812413 /nfs/dbraw/zinc/81/24/13/590812413.db2.gz AGXNASIUJAUYHS-CHWSQXEVSA-N 2 1 233.359 1.706 20 30 BDEDMP C[C@H](CCC#N)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580203 590820977 /nfs/dbraw/zinc/82/09/77/590820977.db2.gz FNSGCZHSZONFBF-UPJWGTAASA-N 2 1 221.348 1.705 20 30 BDEDMP C[C@H](CCC#N)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580203 590820981 /nfs/dbraw/zinc/82/09/81/590820981.db2.gz FNSGCZHSZONFBF-UPJWGTAASA-N 2 1 221.348 1.705 20 30 BDEDMP C[C@H](CCC#N)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580203 590820983 /nfs/dbraw/zinc/82/09/83/590820983.db2.gz FNSGCZHSZONFBF-UPJWGTAASA-N 2 1 221.348 1.705 20 30 BDEDMP C[C@H](CCC#N)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580203 590820988 /nfs/dbraw/zinc/82/09/88/590820988.db2.gz FNSGCZHSZONFBF-UPJWGTAASA-N 2 1 221.348 1.705 20 30 BDEDMP C#CCN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000886661430 592294060 /nfs/dbraw/zinc/29/40/60/592294060.db2.gz VAHWMILKNIYQCK-KFWWJZLASA-N 2 1 249.402 1.156 20 30 BDEDMP C#CCN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000886661430 592294062 /nfs/dbraw/zinc/29/40/62/592294062.db2.gz VAHWMILKNIYQCK-KFWWJZLASA-N 2 1 249.402 1.156 20 30 BDEDMP C#C[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1C ZINC000934514027 631896331 /nfs/dbraw/zinc/89/63/31/631896331.db2.gz FBMQLEWDICCPBS-ZDUSSCGKSA-N 2 1 217.316 1.679 20 30 BDEDMP C#C[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1C ZINC000934514027 631896336 /nfs/dbraw/zinc/89/63/36/631896336.db2.gz FBMQLEWDICCPBS-ZDUSSCGKSA-N 2 1 217.316 1.679 20 30 BDEDMP C=CCC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000321071109 636556224 /nfs/dbraw/zinc/55/62/24/636556224.db2.gz ZVOLRYHFNSZVPS-RLAWYHOSSA-N 2 1 238.375 1.528 20 30 BDEDMP N#CCCCC[N@@H+]1CCc2nccc(N)c2C1 ZINC000931512047 640243117 /nfs/dbraw/zinc/24/31/17/640243117.db2.gz SNVUJQPNFAVAJV-UHFFFAOYSA-N 2 1 230.315 1.716 20 30 BDEDMP N#CCCCC[N@H+]1CCc2nccc(N)c2C1 ZINC000931512047 640243124 /nfs/dbraw/zinc/24/31/24/640243124.db2.gz SNVUJQPNFAVAJV-UHFFFAOYSA-N 2 1 230.315 1.716 20 30 BDEDMP C=C(CC)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933737612 640760350 /nfs/dbraw/zinc/76/03/50/640760350.db2.gz SFHCLEIMCCUPCK-QWHCGFSZSA-N 2 1 208.349 1.836 20 30 BDEDMP C=C(CC)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933737612 640760357 /nfs/dbraw/zinc/76/03/57/640760357.db2.gz SFHCLEIMCCUPCK-QWHCGFSZSA-N 2 1 208.349 1.836 20 30 BDEDMP C=C(CC)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933737612 640760362 /nfs/dbraw/zinc/76/03/62/640760362.db2.gz SFHCLEIMCCUPCK-QWHCGFSZSA-N 2 1 208.349 1.836 20 30 BDEDMP C=CCC[C@H](O)C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933739181 640760822 /nfs/dbraw/zinc/76/08/22/640760822.db2.gz DTEACGPCUWMAGH-RDBSUJKOSA-N 2 1 238.375 1.197 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933739181 640760824 /nfs/dbraw/zinc/76/08/24/640760824.db2.gz DTEACGPCUWMAGH-RDBSUJKOSA-N 2 1 238.375 1.197 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933739181 640760826 /nfs/dbraw/zinc/76/08/26/640760826.db2.gz DTEACGPCUWMAGH-RDBSUJKOSA-N 2 1 238.375 1.197 20 30 BDEDMP C=CC[C@@H]1CC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000934465054 641159799 /nfs/dbraw/zinc/15/97/99/641159799.db2.gz SRSSAMZKPMDKCQ-CHWSQXEVSA-N 2 1 226.364 1.338 20 30 BDEDMP C=CC[C@@H]1CC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000934465054 641159806 /nfs/dbraw/zinc/15/98/06/641159806.db2.gz SRSSAMZKPMDKCQ-CHWSQXEVSA-N 2 1 226.364 1.338 20 30 BDEDMP C=CC[C@@H]1CC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000934465054 641159809 /nfs/dbraw/zinc/15/98/09/641159809.db2.gz SRSSAMZKPMDKCQ-CHWSQXEVSA-N 2 1 226.364 1.338 20 30 BDEDMP C=CC[C@@H]1CC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000934465054 641159814 /nfs/dbraw/zinc/15/98/14/641159814.db2.gz SRSSAMZKPMDKCQ-CHWSQXEVSA-N 2 1 226.364 1.338 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000923280821 644315482 /nfs/dbraw/zinc/31/54/82/644315482.db2.gz JOFLOJAXOLLJKV-RWMBFGLXSA-N 2 1 226.364 1.515 20 30 BDEDMP CCC[N@@H+](CC)CCNC(=[NH2+])NC1CCCC1 ZINC000081781388 644346211 /nfs/dbraw/zinc/34/62/11/644346211.db2.gz CCXZWCKBIJSQLE-UHFFFAOYSA-N 2 1 240.395 1.565 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000923331381 644351006 /nfs/dbraw/zinc/35/10/06/644351006.db2.gz GGGGXWKDXTVQFF-XUXIUFHCSA-N 2 1 238.375 1.373 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923326166 644351476 /nfs/dbraw/zinc/35/14/76/644351476.db2.gz FSRZEJMYYPBQDJ-ZDUSSCGKSA-N 2 1 238.375 1.389 20 30 BDEDMP C=CCC[C@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923367813 644378743 /nfs/dbraw/zinc/37/87/43/644378743.db2.gz IVZLUZITLOVVEV-QWRGUYRKSA-N 2 1 214.353 1.277 20 30 BDEDMP C=CC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923375837 644388160 /nfs/dbraw/zinc/38/81/60/644388160.db2.gz GQBUYMBCJGXRTD-LBPRGKRZSA-N 2 1 222.332 1.015 20 30 BDEDMP N#Cc1cnccc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923481657 644458808 /nfs/dbraw/zinc/45/88/08/644458808.db2.gz TZWSDCGOLYMEMQ-NSHDSACASA-N 2 1 230.315 1.124 20 30 BDEDMP C#CCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246205701 644572524 /nfs/dbraw/zinc/57/25/24/644572524.db2.gz DXQCNYYSGKQVIR-OLZOCXBDSA-N 2 1 206.333 1.616 20 30 BDEDMP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000303257861 644812928 /nfs/dbraw/zinc/81/29/28/644812928.db2.gz JWMASVMAZBEZOL-QWRGUYRKSA-N 2 1 238.379 1.174 20 30 BDEDMP CC(C)NC(=[NH2+])NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000303876315 644852213 /nfs/dbraw/zinc/85/22/13/644852213.db2.gz DWKCUHHTYWPBCE-NWDGAFQWSA-N 2 1 240.395 1.420 20 30 BDEDMP CCN(CC)C(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000303876829 644852506 /nfs/dbraw/zinc/85/25/06/644852506.db2.gz FBBTYRSNFKWITR-NSHDSACASA-N 2 1 238.379 1.127 20 30 BDEDMP CCCCNC(=[NH2+])NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000303988942 644862903 /nfs/dbraw/zinc/86/29/03/644862903.db2.gz XACGSSDLFAKGMN-SNVBAGLBSA-N 2 1 226.368 1.174 20 30 BDEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000304754419 644930604 /nfs/dbraw/zinc/93/06/04/644930604.db2.gz LWJSVCFKTPXJIR-GFCCVEGCSA-N 2 1 238.379 1.129 20 30 BDEDMP C=CCN1CCC([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925550355 646327177 /nfs/dbraw/zinc/32/71/77/646327177.db2.gz RGMCHZINELQKLY-UONOGXRCSA-N 2 1 249.402 1.496 20 30 BDEDMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000925680363 646406200 /nfs/dbraw/zinc/40/62/00/646406200.db2.gz IRRYWDRQUPPJPO-MROQNXINSA-N 2 1 221.348 1.799 20 30 BDEDMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000925689084 646414593 /nfs/dbraw/zinc/41/45/93/646414593.db2.gz ATOGLHQRGHUDRL-QWRGUYRKSA-N 2 1 209.337 1.656 20 30 BDEDMP C=C(C)C[C@@H](CO)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000925772782 646473179 /nfs/dbraw/zinc/47/31/79/646473179.db2.gz UQNRHBFOCQTDAC-GRYCIOLGSA-N 2 1 212.337 1.044 20 30 BDEDMP C=C(Cl)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000069721216 711893504 /nfs/dbraw/zinc/89/35/04/711893504.db2.gz RWZZATIINBCNSB-JTQLQIEISA-N 2 1 202.729 1.942 20 30 BDEDMP C=C(Cl)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000069721216 711893505 /nfs/dbraw/zinc/89/35/05/711893505.db2.gz RWZZATIINBCNSB-JTQLQIEISA-N 2 1 202.729 1.942 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCSCC1 ZINC000709575365 712224884 /nfs/dbraw/zinc/22/48/84/712224884.db2.gz CXOHNXUSRRNHKK-ZDUSSCGKSA-N 2 1 240.416 1.817 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCSCC1 ZINC000709575365 712224885 /nfs/dbraw/zinc/22/48/85/712224885.db2.gz CXOHNXUSRRNHKK-ZDUSSCGKSA-N 2 1 240.416 1.817 20 30 BDEDMP C#CC[N@@H+](C)CCCN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000392840303 711153396 /nfs/dbraw/zinc/15/33/96/711153396.db2.gz YUOJHVUIAOVAFW-LSDHHAIUSA-N 3 1 249.402 1.158 20 30 BDEDMP C#CC[NH+](C)CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000392840303 711153398 /nfs/dbraw/zinc/15/33/98/711153398.db2.gz YUOJHVUIAOVAFW-LSDHHAIUSA-N 2 1 249.402 1.158 20 30 BDEDMP C#CC[NH+](C)CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000392840303 711153399 /nfs/dbraw/zinc/15/33/99/711153399.db2.gz YUOJHVUIAOVAFW-LSDHHAIUSA-N 2 1 249.402 1.158 20 30 BDEDMP C#CCN(C)CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000392840303 711153401 /nfs/dbraw/zinc/15/34/01/711153401.db2.gz YUOJHVUIAOVAFW-LSDHHAIUSA-N 2 1 249.402 1.158 20 30 BDEDMP C#CCN(C)CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000392840303 711153403 /nfs/dbraw/zinc/15/34/03/711153403.db2.gz YUOJHVUIAOVAFW-LSDHHAIUSA-N 2 1 249.402 1.158 20 30 BDEDMP C#C[C@@](C)(CC)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000384219682 710835531 /nfs/dbraw/zinc/83/55/31/710835531.db2.gz RVJSLYDHHURGOA-OLZOCXBDSA-N 2 1 226.364 1.079 20 30 BDEDMP C#C[C@@](C)(CC)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000384219682 710835537 /nfs/dbraw/zinc/83/55/37/710835537.db2.gz RVJSLYDHHURGOA-OLZOCXBDSA-N 2 1 226.364 1.079 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000705951542 712138309 /nfs/dbraw/zinc/13/83/09/712138309.db2.gz DJQAYNUXPCGKSH-KBPBESRZSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000705951542 712138310 /nfs/dbraw/zinc/13/83/10/712138310.db2.gz DJQAYNUXPCGKSH-KBPBESRZSA-N 2 1 238.375 1.489 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)o1 ZINC000923480299 712334423 /nfs/dbraw/zinc/33/44/23/712334423.db2.gz WRSAYBKKIZTZIJ-JTQLQIEISA-N 2 1 219.288 1.322 20 30 BDEDMP C[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000037249877 712558416 /nfs/dbraw/zinc/55/84/16/712558416.db2.gz WENCWRNOGHARKS-UHFFFAOYSA-N 2 1 229.327 1.742 20 30 BDEDMP C=CCO[C@H]1CC[N@@H+](CCC[NH+](CC)CC)C1 ZINC001255778445 970484580 /nfs/dbraw/zinc/48/45/80/970484580.db2.gz CYPAXTZEJTXEQR-AWEZNQCLSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CCO[C@H]1CC[N@H+](CCC[NH+](CC)CC)C1 ZINC001255778445 970484584 /nfs/dbraw/zinc/48/45/84/970484584.db2.gz CYPAXTZEJTXEQR-AWEZNQCLSA-N 2 1 240.391 1.995 20 30 BDEDMP C[N@H+]1CC[C@@H]2C[NH+](C3CCC(C#N)CC3)C[C@@H]2C1 ZINC001256966855 971046406 /nfs/dbraw/zinc/04/64/06/971046406.db2.gz PUOMOKUVCZOPIH-FUUBYGMNSA-N 2 1 247.386 1.952 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@@H+](C3CCC(C#N)CC3)C[C@@H]2C1 ZINC001256966855 971046414 /nfs/dbraw/zinc/04/64/14/971046414.db2.gz PUOMOKUVCZOPIH-FUUBYGMNSA-N 2 1 247.386 1.952 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@H+](C3CCC(C#N)CC3)C[C@@H]2C1 ZINC001256966855 971046423 /nfs/dbraw/zinc/04/64/23/971046423.db2.gz PUOMOKUVCZOPIH-FUUBYGMNSA-N 2 1 247.386 1.952 20 30 BDEDMP CCCCCCC[C@H](C)[N@H+](CC[NH3+])CCO ZINC001258042804 971565705 /nfs/dbraw/zinc/56/57/05/971565705.db2.gz ZTQVIELFRGMRNH-ZDUSSCGKSA-N 2 1 230.396 1.988 20 30 BDEDMP CCCCCCC[C@H](C)[N@@H+](CC[NH3+])CCO ZINC001258042804 971565711 /nfs/dbraw/zinc/56/57/11/971565711.db2.gz ZTQVIELFRGMRNH-ZDUSSCGKSA-N 2 1 230.396 1.988 20 30 BDEDMP C=CCCC[N@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206156699 974333473 /nfs/dbraw/zinc/33/34/73/974333473.db2.gz SCGYBMNVRSCLTG-MNOVXSKESA-N 2 1 200.301 1.714 20 30 BDEDMP C=CCCC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156699 974333485 /nfs/dbraw/zinc/33/34/85/974333485.db2.gz SCGYBMNVRSCLTG-MNOVXSKESA-N 2 1 200.301 1.714 20 30 BDEDMP C=CCCC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156699 974333490 /nfs/dbraw/zinc/33/34/90/974333490.db2.gz SCGYBMNVRSCLTG-MNOVXSKESA-N 2 1 200.301 1.714 20 30 BDEDMP N#Cc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)ccn1 ZINC000310799413 971982448 /nfs/dbraw/zinc/98/24/48/971982448.db2.gz AGJKNZOSHULDDE-ZDUSSCGKSA-N 2 1 244.342 1.514 20 30 BDEDMP N#Cc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)ccn1 ZINC000310799413 971982452 /nfs/dbraw/zinc/98/24/52/971982452.db2.gz AGJKNZOSHULDDE-ZDUSSCGKSA-N 2 1 244.342 1.514 20 30 BDEDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CC[NH2+]1 ZINC001246278957 972253693 /nfs/dbraw/zinc/25/36/93/972253693.db2.gz CILCBJIUMSGBBZ-UWVGGRQHSA-N 2 1 235.356 1.850 20 30 BDEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[NH2+]1 ZINC000709341628 960524914 /nfs/dbraw/zinc/52/49/14/960524914.db2.gz DYUIVCVTKPOVNY-MFKMUULPSA-N 2 1 247.317 1.927 20 30 BDEDMP N#Cc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cn1 ZINC001206623341 960670797 /nfs/dbraw/zinc/67/07/97/960670797.db2.gz LFTSXVZAHQKLJH-LBPRGKRZSA-N 2 1 244.342 1.514 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cn1 ZINC001206623341 960670800 /nfs/dbraw/zinc/67/08/00/960670800.db2.gz LFTSXVZAHQKLJH-LBPRGKRZSA-N 2 1 244.342 1.514 20 30 BDEDMP C#CC[N@@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168388134 965116640 /nfs/dbraw/zinc/11/66/40/965116640.db2.gz AXPMWGURJPPFDX-UHFFFAOYSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CC[N@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168388134 965116646 /nfs/dbraw/zinc/11/66/46/965116646.db2.gz AXPMWGURJPPFDX-UHFFFAOYSA-N 2 1 206.333 1.426 20 30 BDEDMP N#Cc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205093855 967338016 /nfs/dbraw/zinc/33/80/16/967338016.db2.gz GRFUMMVWQQAVPR-CQSZACIVSA-N 2 1 229.327 1.871 20 30 BDEDMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCCc1cccc(C#N)c1 ZINC001205171465 967409220 /nfs/dbraw/zinc/40/92/20/967409220.db2.gz SHCJQCWAMOFADP-IUODEOHRSA-N 2 1 243.354 1.912 20 30 BDEDMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCCc1cccc(C#N)c1 ZINC001205171465 967409227 /nfs/dbraw/zinc/40/92/27/967409227.db2.gz SHCJQCWAMOFADP-IUODEOHRSA-N 2 1 243.354 1.912 20 30 BDEDMP C=CCn1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cn1 ZINC001205273302 967468494 /nfs/dbraw/zinc/46/84/94/967468494.db2.gz JYMGYODKTORFGW-AWEZNQCLSA-N 2 1 248.374 1.772 20 30 BDEDMP C=C[C@@](C)(O)C[N@@H+](CC)CCC[NH+](C)C ZINC001252558024 968802877 /nfs/dbraw/zinc/80/28/77/968802877.db2.gz LNODVDMSDSDXEO-GFCCVEGCSA-N 2 1 214.353 1.197 20 30 BDEDMP C#CCCC[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001209268521 969419706 /nfs/dbraw/zinc/41/97/06/969419706.db2.gz KIDBPGIVUZIYBX-BETUJISGSA-N 2 1 206.333 1.283 20 30 BDEDMP C#CCCC[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001209268521 969419710 /nfs/dbraw/zinc/41/97/10/969419710.db2.gz KIDBPGIVUZIYBX-BETUJISGSA-N 2 1 206.333 1.283 20 30 BDEDMP C#CCCC[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001209268521 969419712 /nfs/dbraw/zinc/41/97/12/969419712.db2.gz KIDBPGIVUZIYBX-BETUJISGSA-N 2 1 206.333 1.283 20 30 BDEDMP Nc1cc[nH+]cc1C[NH+]1CCC(S)CC1 ZINC001209731923 969595088 /nfs/dbraw/zinc/59/50/88/969595088.db2.gz VMCHWOFKFMUVKT-UHFFFAOYSA-N 2 1 223.345 1.388 20 30 BDEDMP CC[C@H](CC#N)[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001255173869 969988459 /nfs/dbraw/zinc/98/84/59/969988459.db2.gz FPOVDULIVCEYGK-GFCCVEGCSA-N 2 1 221.348 1.706 20 30 BDEDMP CC(C)(S)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256069886 970634522 /nfs/dbraw/zinc/63/45/22/970634522.db2.gz PNOJSRPTODJONE-UHFFFAOYSA-N 2 1 228.405 1.911 20 30 BDEDMP C[C@H](CCCC#N)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246567669 972813198 /nfs/dbraw/zinc/81/31/98/972813198.db2.gz JCVPZHPQIBZLLL-UTUOFQBUSA-N 2 1 227.327 1.830 20 30 BDEDMP C[C@H](CCCC#N)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246567669 972813201 /nfs/dbraw/zinc/81/32/01/972813201.db2.gz JCVPZHPQIBZLLL-UTUOFQBUSA-N 2 1 227.327 1.830 20 30 BDEDMP C[C@H]1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C[NH2+]1 ZINC001246834195 973129656 /nfs/dbraw/zinc/12/96/56/973129656.db2.gz NGBVTGZCDQNPEX-YHQUGGNUSA-N 2 1 233.359 1.893 20 30 BDEDMP C[C@H]1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C[NH2+]1 ZINC001246834195 973129676 /nfs/dbraw/zinc/12/96/76/973129676.db2.gz NGBVTGZCDQNPEX-YHQUGGNUSA-N 2 1 233.359 1.893 20 30 BDEDMP CC1(C#N)CCC([N@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC001173586631 975432771 /nfs/dbraw/zinc/43/27/71/975432771.db2.gz XBKQKHDFHKADEN-HIFPTAJRSA-N 2 1 221.348 1.882 20 30 BDEDMP CC1(C#N)CCC([N@@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC001173586631 975432754 /nfs/dbraw/zinc/43/27/54/975432754.db2.gz XBKQKHDFHKADEN-HIFPTAJRSA-N 2 1 221.348 1.882 20 30 BDEDMP CCC#C[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001176641138 978143969 /nfs/dbraw/zinc/14/39/69/978143969.db2.gz PEZQIMYEJKTUEL-MCIONIFRSA-N 2 1 220.360 1.672 20 30 BDEDMP CCC#C[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001176641138 978143973 /nfs/dbraw/zinc/14/39/73/978143973.db2.gz PEZQIMYEJKTUEL-MCIONIFRSA-N 2 1 220.360 1.672 20 30 BDEDMP CCC#C[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001176641138 978143978 /nfs/dbraw/zinc/14/39/78/978143978.db2.gz PEZQIMYEJKTUEL-MCIONIFRSA-N 2 1 220.360 1.672 20 30 BDEDMP CCC#C[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001176641138 978143980 /nfs/dbraw/zinc/14/39/80/978143980.db2.gz PEZQIMYEJKTUEL-MCIONIFRSA-N 2 1 220.360 1.672 20 30 BDEDMP C#CCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237384823 979882414 /nfs/dbraw/zinc/88/24/14/979882414.db2.gz YVKOWKCKWARSMD-OLZOCXBDSA-N 2 1 206.333 1.474 20 30 BDEDMP C=CCO[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001356083541 983572389 /nfs/dbraw/zinc/57/23/89/983572389.db2.gz RWIMOFSWGZPZHA-TUAOUCFPSA-N 2 1 210.321 1.001 20 30 BDEDMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccc1C#N ZINC001579598277 986119134 /nfs/dbraw/zinc/11/91/34/986119134.db2.gz MSVGARPCRYMFAC-IUODEOHRSA-N 2 1 243.354 1.893 20 30 BDEDMP CC[C@@H](CC#N)[NH2+]Cc1ccccc1C[NH3+] ZINC001255159553 986831647 /nfs/dbraw/zinc/83/16/47/986831647.db2.gz XQJJCTJJGCGAQF-ZDUSSCGKSA-N 2 1 217.316 1.927 20 30 BDEDMP CC[C@@H](CC#N)n1cc[nH+]c1CCC[NH3+] ZINC001255164533 986837503 /nfs/dbraw/zinc/83/75/03/986837503.db2.gz LDQACZBMGMZWEQ-JTQLQIEISA-N 2 1 206.293 1.639 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246018332 987303618 /nfs/dbraw/zinc/30/36/18/987303618.db2.gz AVXRTLOKOOMUSP-UONOGXRCSA-N 2 1 240.391 1.764 20 30 BDEDMP C=C[C@@](C)(O)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246035133 987336595 /nfs/dbraw/zinc/33/65/95/987336595.db2.gz ZJMWZXCAXUZAPH-CHWSQXEVSA-N 2 1 224.348 1.141 20 30 BDEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)CC[NH2+]1 ZINC001246270794 987665504 /nfs/dbraw/zinc/66/55/04/987665504.db2.gz MXSNHTBASKDTDZ-ZWNOBZJWSA-N 2 1 247.317 1.927 20 30 BDEDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)CC[NH2+]1 ZINC001246270777 987666171 /nfs/dbraw/zinc/66/61/71/987666171.db2.gz MXSNHTBASKDTDZ-GXFFZTMASA-N 2 1 247.317 1.927 20 30 BDEDMP C[C@H]1CC[C@@H]([NH2+]CC(C)(C)S)C[NH2+]1 ZINC001246292514 987685278 /nfs/dbraw/zinc/68/52/78/987685278.db2.gz XDGMAKIEVKZDIS-DTWKUNHWSA-N 2 1 202.367 1.425 20 30 BDEDMP C[C@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)C[C@H]1C[NH3+] ZINC001246539930 987900819 /nfs/dbraw/zinc/90/08/19/987900819.db2.gz IYIGQXZIOUQAJR-QCNOEVLYSA-N 2 1 207.321 1.205 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]([NH3+])CC2)C1 ZINC001246546675 987925556 /nfs/dbraw/zinc/92/55/56/987925556.db2.gz NGDONQYGNGXBNI-IJLUTSLNSA-N 2 1 207.321 1.492 20 30 BDEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1CC(C)(C[NH3+])C1 ZINC001246586976 988150407 /nfs/dbraw/zinc/15/04/07/988150407.db2.gz CYUUMWUHKGPREH-GFCCVEGCSA-N 2 1 243.354 1.770 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246588320 988155662 /nfs/dbraw/zinc/15/56/62/988155662.db2.gz PTIWJVROIGDJIL-NOOOWODRSA-N 2 1 225.311 1.440 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246588320 988155674 /nfs/dbraw/zinc/15/56/74/988155674.db2.gz PTIWJVROIGDJIL-NOOOWODRSA-N 2 1 225.311 1.440 20 30 BDEDMP C=CCO[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC001326075245 989362475 /nfs/dbraw/zinc/36/24/75/989362475.db2.gz KQHLLOPAXGQQCN-STQMWFEESA-N 2 1 226.364 1.637 20 30 BDEDMP C=CCO[C@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC001326075245 989362487 /nfs/dbraw/zinc/36/24/87/989362487.db2.gz KQHLLOPAXGQQCN-STQMWFEESA-N 2 1 226.364 1.637 20 30 BDEDMP CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001576924279 993455691 /nfs/dbraw/zinc/45/56/91/993455691.db2.gz XWRDPXSJCDEGAR-OLZOCXBDSA-N 2 1 208.349 1.720 20 30 BDEDMP CCC#C[C@@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001576924279 993455694 /nfs/dbraw/zinc/45/56/94/993455694.db2.gz XWRDPXSJCDEGAR-OLZOCXBDSA-N 2 1 208.349 1.720 20 30 BDEDMP C=CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702543511 994020515 /nfs/dbraw/zinc/02/05/15/994020515.db2.gz CKYWSCRBFJFHGH-HNNXBMFYSA-N 2 1 246.354 1.399 20 30 BDEDMP C=CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702543511 994020502 /nfs/dbraw/zinc/02/05/02/994020502.db2.gz CKYWSCRBFJFHGH-HNNXBMFYSA-N 2 1 246.354 1.399 20 30 BDEDMP C[C@@H](CCC#N)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307990876 995521822 /nfs/dbraw/zinc/52/18/22/995521822.db2.gz WRQGYEBVPBHTKK-XQQFMLRXSA-N 2 1 221.348 1.562 20 30 BDEDMP C[C@@H](CCC#N)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001307990876 995521830 /nfs/dbraw/zinc/52/18/30/995521830.db2.gz WRQGYEBVPBHTKK-XQQFMLRXSA-N 2 1 221.348 1.562 20 30 BDEDMP C[C@@H](CCC#N)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001307990876 995521840 /nfs/dbraw/zinc/52/18/40/995521840.db2.gz WRQGYEBVPBHTKK-XQQFMLRXSA-N 2 1 221.348 1.562 20 30 BDEDMP CC#CCC[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000155608502 136213215 /nfs/dbraw/zinc/21/32/15/136213215.db2.gz IKZDEMMMDFULQK-HNNXBMFYSA-N 2 1 249.402 1.112 20 30 BDEDMP C=CCOc1ccccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422907992 398158039 /nfs/dbraw/zinc/15/80/39/398158039.db2.gz CONOHYNYAZQZNI-LBPRGKRZSA-N 2 1 246.354 1.949 20 30 BDEDMP C=CCSCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422943854 398160322 /nfs/dbraw/zinc/16/03/22/398160322.db2.gz LCBBIRRXORMNCC-GHMZBOCLSA-N 2 1 214.378 1.493 20 30 BDEDMP C[C@H]([NH2+]C[C@@H](C#N)CCC#N)C1=CC[N@@H+](C)CC1 ZINC000576510970 365613219 /nfs/dbraw/zinc/61/32/19/365613219.db2.gz BNUWJDIUEOGCTE-QWHCGFSZSA-N 2 1 246.358 1.670 20 30 BDEDMP C[C@H](CCC#N)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000602477220 349564528 /nfs/dbraw/zinc/56/45/28/349564528.db2.gz ZHSJRWUQKUNDQW-OLZOCXBDSA-N 2 1 223.364 1.810 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](C)CCC#N ZINC000602530165 349579218 /nfs/dbraw/zinc/57/92/18/349579218.db2.gz DXSFYJMIVRECRZ-NSHDSACASA-N 2 1 220.320 1.721 20 30 BDEDMP C[C@@H](CCC#N)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000602546495 349589622 /nfs/dbraw/zinc/58/96/22/349589622.db2.gz DJCZJVJYAYGOQT-QWHCGFSZSA-N 2 1 223.364 1.858 20 30 BDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)NCC1CCC1 ZINC000262703072 136281258 /nfs/dbraw/zinc/28/12/58/136281258.db2.gz IQFBJNKWMCFKTO-UHFFFAOYSA-N 2 1 249.362 1.157 20 30 BDEDMP C=CCOCC[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000339010918 136279888 /nfs/dbraw/zinc/27/98/88/136279888.db2.gz FCDHZYYPEAUNEJ-CQSZACIVSA-N 2 1 240.391 1.853 20 30 BDEDMP C=CCOCC[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000339010918 136279889 /nfs/dbraw/zinc/27/98/89/136279889.db2.gz FCDHZYYPEAUNEJ-CQSZACIVSA-N 2 1 240.391 1.853 20 30 BDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000339010287 136279954 /nfs/dbraw/zinc/27/99/54/136279954.db2.gz JEGSMAJAJUANEV-OLZOCXBDSA-N 2 1 226.364 1.604 20 30 BDEDMP C=CCOCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000339010287 136279955 /nfs/dbraw/zinc/27/99/55/136279955.db2.gz JEGSMAJAJUANEV-OLZOCXBDSA-N 2 1 226.364 1.604 20 30 BDEDMP C=CCOCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000339010287 136279956 /nfs/dbraw/zinc/27/99/56/136279956.db2.gz JEGSMAJAJUANEV-OLZOCXBDSA-N 2 1 226.364 1.604 20 30 BDEDMP C=CCOCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000339010287 136279957 /nfs/dbraw/zinc/27/99/57/136279957.db2.gz JEGSMAJAJUANEV-OLZOCXBDSA-N 2 1 226.364 1.604 20 30 BDEDMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602981858 349832546 /nfs/dbraw/zinc/83/25/46/349832546.db2.gz KNJGGQLCSIDRNP-JSGCOSHPSA-N 2 1 246.358 1.977 20 30 BDEDMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602981858 349832549 /nfs/dbraw/zinc/83/25/49/349832549.db2.gz KNJGGQLCSIDRNP-JSGCOSHPSA-N 2 1 246.358 1.977 20 30 BDEDMP C[N@H+]1CC[C@]2(CC[NH+](CCCCC#N)C2)C1 ZINC000309338913 347037574 /nfs/dbraw/zinc/03/75/74/347037574.db2.gz KQELTDMHSSPDTJ-ZDUSSCGKSA-N 2 1 221.348 1.708 20 30 BDEDMP C[NH+]1CC[C@]2(CC[N@H+](CCCCC#N)C2)C1 ZINC000309338913 347037576 /nfs/dbraw/zinc/03/75/76/347037576.db2.gz KQELTDMHSSPDTJ-ZDUSSCGKSA-N 2 1 221.348 1.708 20 30 BDEDMP C[NH+]1CC[C@]2(CC[N@@H+](CCCCC#N)C2)C1 ZINC000309338913 347037580 /nfs/dbraw/zinc/03/75/80/347037580.db2.gz KQELTDMHSSPDTJ-ZDUSSCGKSA-N 2 1 221.348 1.708 20 30 BDEDMP COc1cc(C[N@H+](C)CCC[NH3+])ccc1C#N ZINC000234797979 344264696 /nfs/dbraw/zinc/26/46/96/344264696.db2.gz XVXMZDBZQNFNBR-UHFFFAOYSA-N 2 1 233.315 1.347 20 30 BDEDMP COc1cc(C[N@@H+](C)CCC[NH3+])ccc1C#N ZINC000234797979 344264698 /nfs/dbraw/zinc/26/46/98/344264698.db2.gz XVXMZDBZQNFNBR-UHFFFAOYSA-N 2 1 233.315 1.347 20 30 BDEDMP C#CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000133294239 344317196 /nfs/dbraw/zinc/31/71/96/344317196.db2.gz PHYCVXWBCROYMP-OLZOCXBDSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000133294239 344317198 /nfs/dbraw/zinc/31/71/98/344317198.db2.gz PHYCVXWBCROYMP-OLZOCXBDSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000133294239 344317199 /nfs/dbraw/zinc/31/71/99/344317199.db2.gz PHYCVXWBCROYMP-OLZOCXBDSA-N 2 1 206.333 1.426 20 30 BDEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCCC#N ZINC000136310231 345502762 /nfs/dbraw/zinc/50/27/62/345502762.db2.gz ARASUDRBXIIQRC-UHFFFAOYSA-N 2 1 220.320 1.817 20 30 BDEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCC#N ZINC000136310231 345502768 /nfs/dbraw/zinc/50/27/68/345502768.db2.gz ARASUDRBXIIQRC-UHFFFAOYSA-N 2 1 220.320 1.817 20 30 BDEDMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000591570686 347675862 /nfs/dbraw/zinc/67/58/62/347675862.db2.gz AUCOSRORFZUZAA-UWVGGRQHSA-N 2 1 235.306 1.913 20 30 BDEDMP C[C@@H]([NH3+])C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591581453 347678742 /nfs/dbraw/zinc/67/87/42/347678742.db2.gz WZWJCSIFNRYKLY-YGRLFVJLSA-N 2 1 229.327 1.872 20 30 BDEDMP C[C@H]([NH3+])C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592471534 347789875 /nfs/dbraw/zinc/78/98/75/347789875.db2.gz XJPHMWVTZMWAJN-NSHDSACASA-N 2 1 244.342 1.512 20 30 BDEDMP C[NH2+]CC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592472603 347790760 /nfs/dbraw/zinc/79/07/60/347790760.db2.gz CQSOBFNWUZFVDG-UHFFFAOYSA-N 2 1 244.342 1.385 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365404076 350268140 /nfs/dbraw/zinc/26/81/40/350268140.db2.gz OIYVWYMNTKJFFV-KBPBESRZSA-N 2 1 240.391 1.730 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000336740144 352368586 /nfs/dbraw/zinc/36/85/86/352368586.db2.gz LZCWVUGFPBOCBN-AGIUHOORSA-N 2 1 226.364 1.101 20 30 BDEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1(C#N)CC1 ZINC000343325917 353716965 /nfs/dbraw/zinc/71/69/65/353716965.db2.gz NZLLLXYCLKRBKO-UHFFFAOYSA-N 2 1 232.331 1.817 20 30 BDEDMP Cc1[nH+]ccn1CCC[N@H+](C)CC1(C#N)CC1 ZINC000343325917 353716967 /nfs/dbraw/zinc/71/69/67/353716967.db2.gz NZLLLXYCLKRBKO-UHFFFAOYSA-N 2 1 232.331 1.817 20 30 BDEDMP C=CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000334541162 353975455 /nfs/dbraw/zinc/97/54/55/353975455.db2.gz SVHSRCNZYQJNJW-QWHCGFSZSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000334541162 353975459 /nfs/dbraw/zinc/97/54/59/353975459.db2.gz SVHSRCNZYQJNJW-QWHCGFSZSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000334541162 353975462 /nfs/dbraw/zinc/97/54/62/353975462.db2.gz SVHSRCNZYQJNJW-QWHCGFSZSA-N 2 1 208.349 1.979 20 30 BDEDMP C#CC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366899937 354660948 /nfs/dbraw/zinc/66/09/48/354660948.db2.gz DKEMSFJIJUJDMA-UHFFFAOYSA-N 2 1 206.333 1.427 20 30 BDEDMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCCC#N)C1 ZINC000113515297 355252249 /nfs/dbraw/zinc/25/22/49/355252249.db2.gz XRJQVSRNVHRACF-LBPRGKRZSA-N 2 1 209.337 1.564 20 30 BDEDMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(C#N)c1 ZINC000049551961 356480348 /nfs/dbraw/zinc/48/03/48/356480348.db2.gz BUCHAWQTNSNAJR-GFCCVEGCSA-N 2 1 231.343 1.988 20 30 BDEDMP CC[N@@H+](C)C[C@@H]1CCN(CC2(C#N)CCC2)C1 ZINC000450474959 202174819 /nfs/dbraw/zinc/17/48/19/202174819.db2.gz UIPRDPWWLGHRCX-ZDUSSCGKSA-N 2 1 235.375 1.954 20 30 BDEDMP C[N@H+]1CC[C@H]2CCN(CCCC#N)[C@H]2C1 ZINC000361107544 134203608 /nfs/dbraw/zinc/20/36/08/134203608.db2.gz QAXBLXHQDSLMTH-RYUDHWBXSA-N 2 1 207.321 1.316 20 30 BDEDMP C=CC[N@H+](CCOC)CC[C@H]1CCC[NH+]1C ZINC000189424169 357640367 /nfs/dbraw/zinc/64/03/67/357640367.db2.gz YUPMYDZKKBCDJT-CYBMUJFWSA-N 2 1 226.364 1.605 20 30 BDEDMP C=CC[N@@H+](CCOC)CC[C@H]1CCC[NH+]1C ZINC000189424169 357640370 /nfs/dbraw/zinc/64/03/70/357640370.db2.gz YUPMYDZKKBCDJT-CYBMUJFWSA-N 2 1 226.364 1.605 20 30 BDEDMP C=CC[NH+](CCOC)CC[C@H]1CCC[N@@H+]1C ZINC000189424169 357640372 /nfs/dbraw/zinc/64/03/72/357640372.db2.gz YUPMYDZKKBCDJT-CYBMUJFWSA-N 2 1 226.364 1.605 20 30 BDEDMP C=CC[NH+](CCOC)CC[C@H]1CCC[N@H+]1C ZINC000189424169 357640374 /nfs/dbraw/zinc/64/03/74/357640374.db2.gz YUPMYDZKKBCDJT-CYBMUJFWSA-N 2 1 226.364 1.605 20 30 BDEDMP C=C(C)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371296064 134228401 /nfs/dbraw/zinc/22/84/01/134228401.db2.gz WSBHFBKCXDHXCH-BFHYXJOUSA-N 2 1 238.375 1.746 20 30 BDEDMP C=CCCOCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090883504 360092887 /nfs/dbraw/zinc/09/28/87/360092887.db2.gz FNCKOOSBOBTMKC-ZIAGYGMSSA-N 2 1 238.375 1.796 20 30 BDEDMP C=CCCOCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090883505 360092988 /nfs/dbraw/zinc/09/29/88/360092988.db2.gz FNCKOOSBOBTMKC-UONOGXRCSA-N 2 1 238.375 1.796 20 30 BDEDMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000429680657 201125912 /nfs/dbraw/zinc/12/59/12/201125912.db2.gz IRCZAASWMDXNBE-RDBSUJKOSA-N 2 1 235.375 1.952 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000429680657 201125915 /nfs/dbraw/zinc/12/59/15/201125915.db2.gz IRCZAASWMDXNBE-RDBSUJKOSA-N 2 1 235.375 1.952 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000429680657 201125917 /nfs/dbraw/zinc/12/59/17/201125917.db2.gz IRCZAASWMDXNBE-RDBSUJKOSA-N 2 1 235.375 1.952 20 30 BDEDMP C=CC[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000629552018 361444422 /nfs/dbraw/zinc/44/44/22/361444422.db2.gz YWBZPPCOTHAPOD-CHWSQXEVSA-N 2 1 208.349 1.884 20 30 BDEDMP C=CCC[C@@H](CCC)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154389580 201275239 /nfs/dbraw/zinc/27/52/39/201275239.db2.gz JUWVLXIIKUFAJQ-OLZOCXBDSA-N 2 1 228.380 1.633 20 30 BDEDMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(C#N)o1 ZINC000600769850 369562540 /nfs/dbraw/zinc/56/25/40/369562540.db2.gz TVUNXIBUJVJCDX-GFCCVEGCSA-N 2 1 221.304 1.614 20 30 BDEDMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000040592058 373544415 /nfs/dbraw/zinc/54/44/15/373544415.db2.gz FMYWKYULOZGIKT-HNNXBMFYSA-N 2 1 243.354 1.990 20 30 BDEDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000040592058 373544419 /nfs/dbraw/zinc/54/44/19/373544419.db2.gz FMYWKYULOZGIKT-HNNXBMFYSA-N 2 1 243.354 1.990 20 30 BDEDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000126872578 384181977 /nfs/dbraw/zinc/18/19/77/384181977.db2.gz VXDMVVACLATWQN-FZMZJTMJSA-N 2 1 229.327 1.727 20 30 BDEDMP CC[N@H+](C)CCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000104181274 384806197 /nfs/dbraw/zinc/80/61/97/384806197.db2.gz MXCLNBVICXIKFF-UHFFFAOYSA-N 2 1 248.374 1.982 20 30 BDEDMP CC[N@@H+](C)CCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000104181274 384806206 /nfs/dbraw/zinc/80/62/06/384806206.db2.gz MXCLNBVICXIKFF-UHFFFAOYSA-N 2 1 248.374 1.982 20 30 BDEDMP CC#CC[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000119606306 384888429 /nfs/dbraw/zinc/88/84/29/384888429.db2.gz YPDPTPAXWSQXDQ-UHFFFAOYSA-N 2 1 208.349 1.816 20 30 BDEDMP CC#CC[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000119606306 384888440 /nfs/dbraw/zinc/88/84/40/384888440.db2.gz YPDPTPAXWSQXDQ-UHFFFAOYSA-N 2 1 208.349 1.816 20 30 BDEDMP CCC#C[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000644784138 385165792 /nfs/dbraw/zinc/16/57/92/385165792.db2.gz ICCOQFCYASPWAI-KBPBESRZSA-N 2 1 220.360 1.816 20 30 BDEDMP CCC#C[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000644784138 385165800 /nfs/dbraw/zinc/16/58/00/385165800.db2.gz ICCOQFCYASPWAI-KBPBESRZSA-N 2 1 220.360 1.816 20 30 BDEDMP CCC#C[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000644784138 385165808 /nfs/dbraw/zinc/16/58/08/385165808.db2.gz ICCOQFCYASPWAI-KBPBESRZSA-N 2 1 220.360 1.816 20 30 BDEDMP CCC#C[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000644784138 385165815 /nfs/dbraw/zinc/16/58/15/385165815.db2.gz ICCOQFCYASPWAI-KBPBESRZSA-N 2 1 220.360 1.816 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1O ZINC000295019123 385382348 /nfs/dbraw/zinc/38/23/48/385382348.db2.gz NMJVUNAENMREAL-CYBMUJFWSA-N 2 1 246.354 1.998 20 30 BDEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000414169158 386017541 /nfs/dbraw/zinc/01/75/41/386017541.db2.gz ROGSOVNGSJSGSC-RYUDHWBXSA-N 2 1 223.364 1.856 20 30 BDEDMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336777526 386423936 /nfs/dbraw/zinc/42/39/36/386423936.db2.gz ITCYAWAASSBRCM-AGIUHOORSA-N 2 1 223.364 1.999 20 30 BDEDMP C=CCC[C@@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000320552659 386615685 /nfs/dbraw/zinc/61/56/85/386615685.db2.gz SJZFIBMCFNXZTP-ZDUSSCGKSA-N 2 1 226.364 1.387 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC1CC1 ZINC000392956720 387303019 /nfs/dbraw/zinc/30/30/19/387303019.db2.gz YUBRMCICRVEIJV-LBPRGKRZSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC1CC1 ZINC000392956720 387303024 /nfs/dbraw/zinc/30/30/24/387303024.db2.gz YUBRMCICRVEIJV-LBPRGKRZSA-N 2 1 208.349 1.720 20 30 BDEDMP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)C1 ZINC000423569984 387379804 /nfs/dbraw/zinc/37/98/04/387379804.db2.gz WNCRLJTYFMIFIX-UPJWGTAASA-N 2 1 221.348 1.800 20 30 BDEDMP C=CCCOCC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423008622 387831889 /nfs/dbraw/zinc/83/18/89/387831889.db2.gz ARZHPXYPQAKFRP-STQMWFEESA-N 2 1 226.364 1.699 20 30 BDEDMP C#CC[NH+](C)CCCN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000328119348 387879307 /nfs/dbraw/zinc/87/93/07/387879307.db2.gz QIXKCFUFGIPKGN-KGLIPLIRSA-N 2 1 249.402 1.156 20 30 BDEDMP C#CC[N@@H+](C)CCCN[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000328119348 387879311 /nfs/dbraw/zinc/87/93/11/387879311.db2.gz QIXKCFUFGIPKGN-KGLIPLIRSA-N 2 1 249.402 1.156 20 30 BDEDMP C#CC[N@H+](C)CCCN[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000328119348 387879317 /nfs/dbraw/zinc/87/93/17/387879317.db2.gz QIXKCFUFGIPKGN-KGLIPLIRSA-N 2 1 249.402 1.156 20 30 BDEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424330545 387975487 /nfs/dbraw/zinc/97/54/87/387975487.db2.gz RALZAIPUQLRRMF-RGDJUOJXSA-N 2 1 235.375 1.997 20 30 BDEDMP C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CCC[NH2+]1 ZINC000424374797 387999325 /nfs/dbraw/zinc/99/93/25/387999325.db2.gz LRNOVISUDYEOBU-NNYUYHANSA-N 2 1 207.321 1.409 20 30 BDEDMP C=CCn1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])nn1 ZINC000424372326 387996197 /nfs/dbraw/zinc/99/61/97/387996197.db2.gz GPAVGCJSQIKRBW-WCQYABFASA-N 2 1 249.362 1.071 20 30 BDEDMP C#CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000490616538 388243082 /nfs/dbraw/zinc/24/30/82/388243082.db2.gz KWELVUJIUDSBQL-UHFFFAOYSA-N 2 1 208.349 1.672 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC12CC2 ZINC000491452952 388295802 /nfs/dbraw/zinc/29/58/02/388295802.db2.gz OQOUVFAEYLYMEK-CYBMUJFWSA-N 2 1 220.360 1.864 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC12CC2 ZINC000491452952 388295804 /nfs/dbraw/zinc/29/58/04/388295804.db2.gz OQOUVFAEYLYMEK-CYBMUJFWSA-N 2 1 220.360 1.864 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000491071171 388268110 /nfs/dbraw/zinc/26/81/10/388268110.db2.gz IJGAPLKSUWBRSP-KBPBESRZSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000491071171 388268111 /nfs/dbraw/zinc/26/81/11/388268111.db2.gz IJGAPLKSUWBRSP-KBPBESRZSA-N 2 1 238.375 1.489 20 30 BDEDMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000172197070 388408130 /nfs/dbraw/zinc/40/81/30/388408130.db2.gz UNQXRECCDUPZHV-OAHLLOKOSA-N 2 1 243.354 1.942 20 30 BDEDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000172197070 388408135 /nfs/dbraw/zinc/40/81/35/388408135.db2.gz UNQXRECCDUPZHV-OAHLLOKOSA-N 2 1 243.354 1.942 20 30 BDEDMP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000530214778 388629490 /nfs/dbraw/zinc/62/94/90/388629490.db2.gz CTAAIHGXFUMZLP-JHJVBQTASA-N 2 1 233.359 1.943 20 30 BDEDMP C[C@H]([NH2+]CCC[NH3+])c1ccc(C#N)cc1F ZINC000423187072 388688647 /nfs/dbraw/zinc/68/86/47/388688647.db2.gz KUKYFUIXQGXNGI-VIFPVBQESA-N 2 1 221.279 1.697 20 30 BDEDMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423270921 388689358 /nfs/dbraw/zinc/68/93/58/388689358.db2.gz GYBWRRIIRMTZMJ-QMTHXVAHSA-N 2 1 229.327 1.946 20 30 BDEDMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000423473717 388692646 /nfs/dbraw/zinc/69/26/46/388692646.db2.gz QUROEWFNPDEPSV-GXFFZTMASA-N 2 1 217.316 1.946 20 30 BDEDMP C[C@@H](C[NH3+])[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423407379 388692947 /nfs/dbraw/zinc/69/29/47/388692947.db2.gz VPPNUNGOHABYCT-ZANVPECISA-N 2 1 215.300 1.482 20 30 BDEDMP C#CCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371185208 134227389 /nfs/dbraw/zinc/22/73/89/134227389.db2.gz QTVSERKVRDLAGI-MELADBBJSA-N 2 1 236.359 1.193 20 30 BDEDMP CC1CCN(C(=[NH2+])NC[C@H]2CCC[N@H+]2C)CC1 ZINC000303266726 134233372 /nfs/dbraw/zinc/23/33/72/134233372.db2.gz WHZWFTHOYMXKJG-GFCCVEGCSA-N 2 1 238.379 1.127 20 30 BDEDMP C=CCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000378245984 134245607 /nfs/dbraw/zinc/24/56/07/134245607.db2.gz FDZVZKJVDVUTGX-BFHYXJOUSA-N 2 1 238.375 1.746 20 30 BDEDMP C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261867320 135258004 /nfs/dbraw/zinc/25/80/04/135258004.db2.gz CTEFPMDYJZHJGX-FQUUOJAGSA-N 2 1 238.375 1.698 20 30 BDEDMP C[C@H](CNC1=[NH+]C[C@@H](C)N1)[N@H+]1CCCC[C@@H]1C ZINC000262625765 135309694 /nfs/dbraw/zinc/30/96/94/135309694.db2.gz DJXXRDHKSLSYAU-GRYCIOLGSA-N 2 1 238.379 1.187 20 30 BDEDMP C[C@@H]1C[NH+]=C(NCC[N@@H+](C)C2CCCCC2)N1 ZINC000262685689 135313900 /nfs/dbraw/zinc/31/39/00/135313900.db2.gz YHQVQSAAWXIRKU-LLVKDONJSA-N 2 1 238.379 1.188 20 30 BDEDMP C[C@H]1C[NH+]=C(NCC[N@@H+](C)C2CCCCC2)N1 ZINC000262685690 135314250 /nfs/dbraw/zinc/31/42/50/135314250.db2.gz YHQVQSAAWXIRKU-NSHDSACASA-N 2 1 238.379 1.188 20 30 BDEDMP C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CC[NH2+]1 ZINC000335384951 136088459 /nfs/dbraw/zinc/08/84/59/136088459.db2.gz ISPRSULPGASORF-SMDDNHRTSA-N 2 1 229.327 1.788 20 30 BDEDMP C#CCOc1ccc(C[NH2+]CCC[NH+](C)C)cc1 ZINC000045946423 166198873 /nfs/dbraw/zinc/19/88/73/166198873.db2.gz YMUMGBLMUPCZFE-UHFFFAOYSA-N 2 1 246.354 1.740 20 30 BDEDMP C=CCC[NH+](C)CC(O)C[N@@H+](C)CCC=C ZINC000278258594 166257868 /nfs/dbraw/zinc/25/78/68/166257868.db2.gz GSVQAIYRPBHLNE-UHFFFAOYSA-N 2 1 226.364 1.363 20 30 BDEDMP C=CCOCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000658210104 411294475 /nfs/dbraw/zinc/29/44/75/411294475.db2.gz OCZLOMIAJQYUBI-QWHCGFSZSA-N 2 1 226.364 1.651 20 30 BDEDMP C=CCOCCC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000658210578 411295435 /nfs/dbraw/zinc/29/54/35/411295435.db2.gz UQNFTEKTYPPZOY-UONOGXRCSA-N 2 1 240.391 1.899 20 30 BDEDMP C=C(C)[C@@H](CO)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660658693 411614669 /nfs/dbraw/zinc/61/46/69/411614669.db2.gz GGPIZDNZZYHVGG-KGLIPLIRSA-N 2 1 238.375 1.341 20 30 BDEDMP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660658693 411614670 /nfs/dbraw/zinc/61/46/70/411614670.db2.gz GGPIZDNZZYHVGG-KGLIPLIRSA-N 2 1 238.375 1.341 20 30 BDEDMP C=C(C)[C@@H](CO)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660658693 411614672 /nfs/dbraw/zinc/61/46/72/411614672.db2.gz GGPIZDNZZYHVGG-KGLIPLIRSA-N 2 1 238.375 1.341 20 30 BDEDMP C=CC[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000662299561 412087616 /nfs/dbraw/zinc/08/76/16/412087616.db2.gz ROMXOZKCXFVQHW-QWHCGFSZSA-N 2 1 208.349 1.884 20 30 BDEDMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC000049553173 175670866 /nfs/dbraw/zinc/67/08/66/175670866.db2.gz JMANZFOEGKACCV-LBPRGKRZSA-N 2 1 231.343 1.988 20 30 BDEDMP CCC#C[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000680866220 487661588 /nfs/dbraw/zinc/66/15/88/487661588.db2.gz XUCPXSMDEAYKLR-STQMWFEESA-N 2 1 208.349 1.672 20 30 BDEDMP CCC#C[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000680866220 487661592 /nfs/dbraw/zinc/66/15/92/487661592.db2.gz XUCPXSMDEAYKLR-STQMWFEESA-N 2 1 208.349 1.672 20 30 BDEDMP C=CCC1([NH2+]C2CC[NH+](C)CC2)CCOCC1 ZINC000668552406 487923145 /nfs/dbraw/zinc/92/31/45/487923145.db2.gz LJFGVTNDPHRFER-UHFFFAOYSA-N 2 1 238.375 1.796 20 30 BDEDMP C=CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652361680 487932752 /nfs/dbraw/zinc/93/27/52/487932752.db2.gz MIFSHPYJNVSQIQ-MCIONIFRSA-N 2 1 238.375 1.923 20 30 BDEDMP C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H](C)[NH3+] ZINC000309117473 323319386 /nfs/dbraw/zinc/31/93/86/323319386.db2.gz ROYKUPUGAHTDHD-VHSXEESVSA-N 2 1 203.289 1.384 20 30 BDEDMP COCC#CCN1CCC[C@H](c2ncc[nH]2)C1 ZINC000677819327 487515823 /nfs/dbraw/zinc/51/58/23/487515823.db2.gz YBHFHIYQNULRLK-LBPRGKRZSA-N 2 1 233.315 1.239 20 30 BDEDMP COCC#CCN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000677820253 487518102 /nfs/dbraw/zinc/51/81/02/487518102.db2.gz KOVMNAUJPUIAKR-STQMWFEESA-N 2 1 224.348 1.051 20 30 BDEDMP COCC#CC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000677820253 487518106 /nfs/dbraw/zinc/51/81/06/487518106.db2.gz KOVMNAUJPUIAKR-STQMWFEESA-N 2 1 224.348 1.051 20 30 BDEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000677820253 487518109 /nfs/dbraw/zinc/51/81/09/487518109.db2.gz KOVMNAUJPUIAKR-STQMWFEESA-N 2 1 224.348 1.051 20 30 BDEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000442712392 490366340 /nfs/dbraw/zinc/36/63/40/490366340.db2.gz GHLKKBIFKQMCMX-XJFOESAGSA-N 2 1 233.359 1.895 20 30 BDEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000442712392 490366347 /nfs/dbraw/zinc/36/63/47/490366347.db2.gz GHLKKBIFKQMCMX-XJFOESAGSA-N 2 1 233.359 1.895 20 30 BDEDMP C#CCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000363466338 491121107 /nfs/dbraw/zinc/12/11/07/491121107.db2.gz FNWFFDPVOUCIDB-AWEZNQCLSA-N 2 1 220.360 1.960 20 30 BDEDMP C=CCCOCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300413671 534778425 /nfs/dbraw/zinc/77/84/25/534778425.db2.gz FNCKOOSBOBTMKC-KGLIPLIRSA-N 2 1 238.375 1.796 20 30 BDEDMP C=C(C)COCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400558364 526655941 /nfs/dbraw/zinc/65/59/41/526655941.db2.gz ZTZWKTMZLWVNOC-RYUDHWBXSA-N 2 1 212.337 1.309 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000491165938 526826714 /nfs/dbraw/zinc/82/67/14/526826714.db2.gz ODLYPNAPEPQTNQ-UONOGXRCSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000491165938 526826718 /nfs/dbraw/zinc/82/67/18/526826718.db2.gz ODLYPNAPEPQTNQ-UONOGXRCSA-N 2 1 238.375 1.346 20 30 BDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CC[C@H]1C ZINC000262632613 535548622 /nfs/dbraw/zinc/54/86/22/535548622.db2.gz GAPZMJGOIJXACE-IJLUTSLNSA-N 2 1 238.379 1.174 20 30 BDEDMP C#CCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000852104361 583003473 /nfs/dbraw/zinc/00/34/73/583003473.db2.gz ABCPKYJTXLZOFX-ZDUSSCGKSA-N 2 1 206.333 1.427 20 30 BDEDMP C#CCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000852104361 583003472 /nfs/dbraw/zinc/00/34/72/583003472.db2.gz ABCPKYJTXLZOFX-ZDUSSCGKSA-N 2 1 206.333 1.427 20 30 BDEDMP C#C[C@@H]([NH2+]CCCn1cc[nH+]c1C)[C@H]1CCCO1 ZINC000775792713 583104607 /nfs/dbraw/zinc/10/46/07/583104607.db2.gz SMFUWTQYXZZTLG-ZIAGYGMSSA-N 2 1 247.342 1.352 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000894863812 583536584 /nfs/dbraw/zinc/53/65/84/583536584.db2.gz UQTGNDIZQJBQIL-LLVKDONJSA-N 2 1 244.329 1.965 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000894863812 583536587 /nfs/dbraw/zinc/53/65/87/583536587.db2.gz UQTGNDIZQJBQIL-LLVKDONJSA-N 2 1 244.329 1.965 20 30 BDEDMP C=C(C)C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000896035171 583764519 /nfs/dbraw/zinc/76/45/19/583764519.db2.gz OMJHMUIZZNAHHV-CPIKKWJDSA-N 2 1 238.375 1.528 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000858420547 588952844 /nfs/dbraw/zinc/95/28/44/588952844.db2.gz GICZSWRJHTXLOX-QEJZJMRPSA-N 2 1 234.387 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000858420547 588952845 /nfs/dbraw/zinc/95/28/45/588952845.db2.gz GICZSWRJHTXLOX-QEJZJMRPSA-N 2 1 234.387 1.966 20 30 BDEDMP C[N@@H+](CC1CCC(C#N)CC1)C1CC([NH3+])C1 ZINC000903453711 584772985 /nfs/dbraw/zinc/77/29/85/584772985.db2.gz JCUVTWGHXBJHOV-UHFFFAOYSA-N 2 1 221.348 1.738 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1C[NH3+] ZINC000904411367 584879805 /nfs/dbraw/zinc/87/98/05/584879805.db2.gz UWFQWRAUCJFMDM-SWLSCSKDSA-N 2 1 243.354 1.975 20 30 BDEDMP C#CCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000760842260 585399222 /nfs/dbraw/zinc/39/92/22/585399222.db2.gz FCEIVEHKSNZJBD-CQSZACIVSA-N 2 1 220.360 1.673 20 30 BDEDMP C#CCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000760842260 585399223 /nfs/dbraw/zinc/39/92/23/585399223.db2.gz FCEIVEHKSNZJBD-CQSZACIVSA-N 2 1 220.360 1.673 20 30 BDEDMP C#CCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000760842260 585399224 /nfs/dbraw/zinc/39/92/24/585399224.db2.gz FCEIVEHKSNZJBD-CQSZACIVSA-N 2 1 220.360 1.673 20 30 BDEDMP C=CC[C@@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000774271309 585655728 /nfs/dbraw/zinc/65/57/28/585655728.db2.gz IQCBGJMMQQGVSJ-RLAWYHOSSA-N 2 1 238.375 1.386 20 30 BDEDMP C#CC[NH+]1CCC(Nc2cc(C)cc[nH+]2)CC1 ZINC000776770324 585705355 /nfs/dbraw/zinc/70/53/55/585705355.db2.gz SYHWFEODBWBQMO-UHFFFAOYSA-N 2 1 229.327 1.900 20 30 BDEDMP COc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1C#N ZINC000817915161 586839868 /nfs/dbraw/zinc/83/98/68/586839868.db2.gz HXKKPAWSCGFINN-OLZOCXBDSA-N 2 1 245.326 1.536 20 30 BDEDMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(OCC#N)cc1 ZINC000817970262 586857172 /nfs/dbraw/zinc/85/71/72/586857172.db2.gz PXNKQAHXIMGBKM-WDEREUQCSA-N 2 1 233.315 1.587 20 30 BDEDMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817977905 586861905 /nfs/dbraw/zinc/86/19/05/586861905.db2.gz RHSKCAZTQXRFJG-WOPDTQHZSA-N 2 1 247.342 1.975 20 30 BDEDMP C#CC[C@H]1CCC[N@H+](CCc2cncn2C)C1 ZINC000829814817 587519040 /nfs/dbraw/zinc/51/90/40/587519040.db2.gz ACTTWTYGKQSOTE-ZDUSSCGKSA-N 2 1 231.343 1.698 20 30 BDEDMP C#C[C@H]([NH2+]CCCc1c[nH+]cn1C)[C@@H]1CCCO1 ZINC000846861700 588293981 /nfs/dbraw/zinc/29/39/81/588293981.db2.gz QUZPVPIDGBSLGB-KBPBESRZSA-N 2 1 247.342 1.123 20 30 BDEDMP C#CCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848528281 588392817 /nfs/dbraw/zinc/39/28/17/588392817.db2.gz DOBZPWDRBZWWSY-AWEZNQCLSA-N 2 1 236.359 1.243 20 30 BDEDMP C#Cc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000848545626 588394861 /nfs/dbraw/zinc/39/48/61/588394861.db2.gz ZKLXNMDQKYBAAF-UHFFFAOYSA-N 2 1 228.339 1.853 20 30 BDEDMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)NC1CC1 ZINC000849006175 588432792 /nfs/dbraw/zinc/43/27/92/588432792.db2.gz BHOMWHJXIZSYED-UHFFFAOYSA-N 2 1 238.379 1.188 20 30 BDEDMP C#CCOCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000851796398 588629720 /nfs/dbraw/zinc/62/97/20/588629720.db2.gz DBVRWOIKFOZYGN-ZIAGYGMSSA-N 2 1 238.375 1.441 20 30 BDEDMP C#CCOCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000851796398 588629721 /nfs/dbraw/zinc/62/97/21/588629721.db2.gz DBVRWOIKFOZYGN-ZIAGYGMSSA-N 2 1 238.375 1.441 20 30 BDEDMP C#CCOCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000851796398 588629722 /nfs/dbraw/zinc/62/97/22/588629722.db2.gz DBVRWOIKFOZYGN-ZIAGYGMSSA-N 2 1 238.375 1.441 20 30 BDEDMP C#CCOCC[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000851796873 588629971 /nfs/dbraw/zinc/62/99/71/588629971.db2.gz FJYCMDJSFQATJK-CQSZACIVSA-N 2 1 238.375 1.300 20 30 BDEDMP C#CCOCC[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000851796873 588629972 /nfs/dbraw/zinc/62/99/72/588629972.db2.gz FJYCMDJSFQATJK-CQSZACIVSA-N 2 1 238.375 1.300 20 30 BDEDMP C#CCOCC[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000851796873 588629973 /nfs/dbraw/zinc/62/99/73/588629973.db2.gz FJYCMDJSFQATJK-CQSZACIVSA-N 2 1 238.375 1.300 20 30 BDEDMP C#CCOCC[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000851796873 588629974 /nfs/dbraw/zinc/62/99/74/588629974.db2.gz FJYCMDJSFQATJK-CQSZACIVSA-N 2 1 238.375 1.300 20 30 BDEDMP C#CCOCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000851848216 588634639 /nfs/dbraw/zinc/63/46/39/588634639.db2.gz ZVKWYJIDZQHMIP-KBPBESRZSA-N 2 1 238.375 1.298 20 30 BDEDMP C#CCOCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000851848216 588634640 /nfs/dbraw/zinc/63/46/40/588634640.db2.gz ZVKWYJIDZQHMIP-KBPBESRZSA-N 2 1 238.375 1.298 20 30 BDEDMP C#CCOCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000851848216 588634641 /nfs/dbraw/zinc/63/46/41/588634641.db2.gz ZVKWYJIDZQHMIP-KBPBESRZSA-N 2 1 238.375 1.298 20 30 BDEDMP C#C[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000852215841 588673433 /nfs/dbraw/zinc/67/34/33/588673433.db2.gz ONTYYYQLJBWPQS-KGLIPLIRSA-N 2 1 238.375 1.033 20 30 BDEDMP C#C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000852215841 588673434 /nfs/dbraw/zinc/67/34/34/588673434.db2.gz ONTYYYQLJBWPQS-KGLIPLIRSA-N 2 1 238.375 1.033 20 30 BDEDMP C#C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000852215841 588673435 /nfs/dbraw/zinc/67/34/35/588673435.db2.gz ONTYYYQLJBWPQS-KGLIPLIRSA-N 2 1 238.375 1.033 20 30 BDEDMP C#C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000852215841 588673436 /nfs/dbraw/zinc/67/34/36/588673436.db2.gz ONTYYYQLJBWPQS-KGLIPLIRSA-N 2 1 238.375 1.033 20 30 BDEDMP CC(=[NH+]n1cccn1)C1CC[NH+](C)CC1 ZINC000863163600 589266230 /nfs/dbraw/zinc/26/62/30/589266230.db2.gz KGKPFSFVJAUJOT-UHFFFAOYSA-N 2 1 206.293 1.449 20 30 BDEDMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)CC[C@H]21 ZINC000866585723 589501781 /nfs/dbraw/zinc/50/17/81/589501781.db2.gz SVOJRYFLNBOPDO-REWJHTLYSA-N 2 1 233.359 1.705 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)CC[C@H]21 ZINC000866585723 589501783 /nfs/dbraw/zinc/50/17/83/589501783.db2.gz SVOJRYFLNBOPDO-REWJHTLYSA-N 2 1 233.359 1.705 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CC[C@H](C#N)C3)CC[C@H]21 ZINC000866585723 589501784 /nfs/dbraw/zinc/50/17/84/589501784.db2.gz SVOJRYFLNBOPDO-REWJHTLYSA-N 2 1 233.359 1.705 20 30 BDEDMP C=CC[C@H](C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000878109237 590496520 /nfs/dbraw/zinc/49/65/20/590496520.db2.gz OAORWQATLLKVJK-ZDUSSCGKSA-N 2 1 240.391 1.730 20 30 BDEDMP C=C(C)C[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000883393100 591645267 /nfs/dbraw/zinc/64/52/67/591645267.db2.gz VWCCGRWGZMETEB-STQMWFEESA-N 2 1 240.391 1.776 20 30 BDEDMP C#CCC1([NH2+]CCc2c[nH+]cn2C)CCOCC1 ZINC000887122255 592446582 /nfs/dbraw/zinc/44/65/82/592446582.db2.gz PYAKHDJDUSARNF-UHFFFAOYSA-N 2 1 247.342 1.125 20 30 BDEDMP C#CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131078 592450018 /nfs/dbraw/zinc/45/00/18/592450018.db2.gz QQATXFFAWVJHDN-GFCCVEGCSA-N 2 1 215.300 1.225 20 30 BDEDMP C#CC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131078 592450022 /nfs/dbraw/zinc/45/00/22/592450022.db2.gz QQATXFFAWVJHDN-GFCCVEGCSA-N 2 1 215.300 1.225 20 30 BDEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925705507 634383300 /nfs/dbraw/zinc/38/33/00/634383300.db2.gz KOHXWDURYUKTEJ-VWBGDHHKSA-N 2 1 231.343 1.265 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2C)CC1 ZINC000924987400 635825369 /nfs/dbraw/zinc/82/53/69/635825369.db2.gz QGZUFYPANNETGT-GXTWGEPZSA-N 2 1 238.375 1.651 20 30 BDEDMP C[N@H+]1CC[C@@H]2C[NH+](CCCCC#N)C[C@@H]2C1 ZINC000309398737 633013349 /nfs/dbraw/zinc/01/33/49/633013349.db2.gz UXRLAKMTCULNQO-OLZOCXBDSA-N 2 1 221.348 1.564 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@H+](CCCCC#N)C[C@@H]2C1 ZINC000309398737 633013352 /nfs/dbraw/zinc/01/33/52/633013352.db2.gz UXRLAKMTCULNQO-OLZOCXBDSA-N 2 1 221.348 1.564 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCC#N)C[C@@H]2C1 ZINC000309398737 633013356 /nfs/dbraw/zinc/01/33/56/633013356.db2.gz UXRLAKMTCULNQO-OLZOCXBDSA-N 2 1 221.348 1.564 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CSC[C@H]1C ZINC000327999037 633213021 /nfs/dbraw/zinc/21/30/21/633213021.db2.gz NJXDDQMIOLBDAI-NEPJUHHUSA-N 2 1 226.389 1.283 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CSC[C@H]1C ZINC000327999037 633213024 /nfs/dbraw/zinc/21/30/24/633213024.db2.gz NJXDDQMIOLBDAI-NEPJUHHUSA-N 2 1 226.389 1.283 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@]1(C)CCCS1 ZINC000328018901 633212647 /nfs/dbraw/zinc/21/26/47/633212647.db2.gz RXJCTZVTVASBLQ-ZDUSSCGKSA-N 2 1 240.416 1.817 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@]1(C)CCCS1 ZINC000328018901 633212655 /nfs/dbraw/zinc/21/26/55/633212655.db2.gz RXJCTZVTVASBLQ-ZDUSSCGKSA-N 2 1 240.416 1.817 20 30 BDEDMP C[C@H](CCC#N)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621815 636827308 /nfs/dbraw/zinc/82/73/08/636827308.db2.gz VKLCWKAUDQRUMJ-HZSPNIEDSA-N 2 1 235.375 1.810 20 30 BDEDMP C[C@H](CCC#N)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000897621815 636827313 /nfs/dbraw/zinc/82/73/13/636827313.db2.gz VKLCWKAUDQRUMJ-HZSPNIEDSA-N 2 1 235.375 1.810 20 30 BDEDMP C[C@H](CCC#N)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000897621815 636827318 /nfs/dbraw/zinc/82/73/18/636827318.db2.gz VKLCWKAUDQRUMJ-HZSPNIEDSA-N 2 1 235.375 1.810 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]C[C@@](C)(O)C(F)F)CC1 ZINC000905096286 637634810 /nfs/dbraw/zinc/63/48/10/637634810.db2.gz LNAOSSWIEIEGQA-GFCCVEGCSA-N 2 1 248.317 1.243 20 30 BDEDMP C=CCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931312402 640146138 /nfs/dbraw/zinc/14/61/38/640146138.db2.gz XAYMWEWIJUXSSL-BETUJISGSA-N 2 1 208.349 1.836 20 30 BDEDMP C=CCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931312402 640146146 /nfs/dbraw/zinc/14/61/46/640146146.db2.gz XAYMWEWIJUXSSL-BETUJISGSA-N 2 1 208.349 1.836 20 30 BDEDMP C=CCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931312402 640146153 /nfs/dbraw/zinc/14/61/53/640146153.db2.gz XAYMWEWIJUXSSL-BETUJISGSA-N 2 1 208.349 1.836 20 30 BDEDMP C=CCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931312402 640146156 /nfs/dbraw/zinc/14/61/56/640146156.db2.gz XAYMWEWIJUXSSL-BETUJISGSA-N 2 1 208.349 1.836 20 30 BDEDMP C[N@H+]1CC[C@@H]2CN(C[C@H](C#N)CCC#N)C[C@@H]2C1 ZINC000931430223 640198580 /nfs/dbraw/zinc/19/85/80/640198580.db2.gz MVHVESIJHHBKGX-MJBXVCDLSA-N 2 1 246.358 1.313 20 30 BDEDMP C#CC[N@@H+](C[C@H](O)CN(C)CC)C(C)(C)C ZINC000932462421 640532497 /nfs/dbraw/zinc/53/24/97/640532497.db2.gz YTRDLFKPEZBXTR-GFCCVEGCSA-N 2 1 226.364 1.033 20 30 BDEDMP C#CC[N@H+](C[C@H](O)CN(C)CC)C(C)(C)C ZINC000932462421 640532505 /nfs/dbraw/zinc/53/25/05/640532505.db2.gz YTRDLFKPEZBXTR-GFCCVEGCSA-N 2 1 226.364 1.033 20 30 BDEDMP C#CC[NH+](C[C@H](O)C[N@@H+](C)CC)C(C)(C)C ZINC000932462421 640532509 /nfs/dbraw/zinc/53/25/09/640532509.db2.gz YTRDLFKPEZBXTR-GFCCVEGCSA-N 2 1 226.364 1.033 20 30 BDEDMP C#CC[NH+](C[C@H](O)C[N@H+](C)CC)C(C)(C)C ZINC000932462421 640532516 /nfs/dbraw/zinc/53/25/16/640532516.db2.gz YTRDLFKPEZBXTR-GFCCVEGCSA-N 2 1 226.364 1.033 20 30 BDEDMP C#CC[N@@H+](C[C@H](O)C[NH+](C)CC)C(C)(C)C ZINC000932462421 640532521 /nfs/dbraw/zinc/53/25/21/640532521.db2.gz YTRDLFKPEZBXTR-GFCCVEGCSA-N 2 1 226.364 1.033 20 30 BDEDMP C#CC[N@H+](C[C@H](O)C[NH+](C)CC)C(C)(C)C ZINC000932462421 640532527 /nfs/dbraw/zinc/53/25/27/640532527.db2.gz YTRDLFKPEZBXTR-GFCCVEGCSA-N 2 1 226.364 1.033 20 30 BDEDMP C#CCSCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000181098173 642837799 /nfs/dbraw/zinc/83/77/99/642837799.db2.gz UZKLIQCQLBKXIM-RYUDHWBXSA-N 2 1 226.389 1.425 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000923349165 644362922 /nfs/dbraw/zinc/36/29/22/644362922.db2.gz PHHPWHAOZNJMRH-QWHCGFSZSA-N 2 1 226.364 1.374 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000923343035 644363431 /nfs/dbraw/zinc/36/34/31/644363431.db2.gz BFMAZFVGGRYVDQ-AVGNSLFASA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@H](O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000923369904 644382202 /nfs/dbraw/zinc/38/22/02/644382202.db2.gz NICXRCDURSTKFJ-ZDEQEGDKSA-N 2 1 226.364 1.290 20 30 BDEDMP CCCCNC(=[NH2+])NC[C@H]1CC[N@@H+](CC)C1 ZINC000303868921 644851116 /nfs/dbraw/zinc/85/11/16/644851116.db2.gz AQHSOOJELSNCSK-LLVKDONJSA-N 2 1 226.368 1.033 20 30 BDEDMP CCCCNC(=[NH2+])NCC[N@H+]1CCC[C@H](C)C1 ZINC000303873634 644852984 /nfs/dbraw/zinc/85/29/84/644852984.db2.gz CQFGANCAYGREMW-LBPRGKRZSA-N 2 1 240.395 1.423 20 30 BDEDMP CC(C)CNC(=[NH2+])NCC[N@H+]1CCC[C@@H](C)C1 ZINC000303909270 644857816 /nfs/dbraw/zinc/85/78/16/644857816.db2.gz YBHRLCBVKLCDIB-GFCCVEGCSA-N 2 1 240.395 1.279 20 30 BDEDMP CC[N@@H+](CC[NH+]=C(N(C)C)N(C)C)C(C)C ZINC000303973480 644861285 /nfs/dbraw/zinc/86/12/85/644861285.db2.gz GYFSMXOAJFIMGF-UHFFFAOYSA-N 2 1 228.384 1.196 20 30 BDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC1CC1 ZINC000304736377 644927272 /nfs/dbraw/zinc/92/72/72/644927272.db2.gz ABHHXZMHHPKBDP-LBPRGKRZSA-N 2 1 238.379 1.175 20 30 BDEDMP CCCC[N@@H+](C)CCNC(=[NH2+])NCCC ZINC000304755443 644931195 /nfs/dbraw/zinc/93/11/95/644931195.db2.gz MTHDDPSCGTZITQ-UHFFFAOYSA-N 2 1 214.357 1.033 20 30 BDEDMP C#CC1CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000852205065 645472873 /nfs/dbraw/zinc/47/28/73/645472873.db2.gz HUVQCTOPYOFAEU-AWEZNQCLSA-N 2 1 238.375 1.033 20 30 BDEDMP C#CC1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000852205065 645472887 /nfs/dbraw/zinc/47/28/87/645472887.db2.gz HUVQCTOPYOFAEU-AWEZNQCLSA-N 2 1 238.375 1.033 20 30 BDEDMP C#CC[NH+](C)CCCC[N@@H+](CC#C)C[C@@H]1C[C@H]1C ZINC000859740540 645686214 /nfs/dbraw/zinc/68/62/14/645686214.db2.gz NUPCXZFQHJJWLH-CVEARBPZSA-N 2 1 246.398 1.923 20 30 BDEDMP C#CC[NH+](CCCC[N@H+](C)CC#C)C[C@@H]1C[C@H]1C ZINC000859740540 645686218 /nfs/dbraw/zinc/68/62/18/645686218.db2.gz NUPCXZFQHJJWLH-CVEARBPZSA-N 2 1 246.398 1.923 20 30 BDEDMP C#CC[NH+](CCCC[N@@H+](C)CC#C)C[C@@H]1C[C@H]1C ZINC000859740540 645686223 /nfs/dbraw/zinc/68/62/23/645686223.db2.gz NUPCXZFQHJJWLH-CVEARBPZSA-N 2 1 246.398 1.923 20 30 BDEDMP N#Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)nc1 ZINC000925672039 646403128 /nfs/dbraw/zinc/40/31/28/646403128.db2.gz GHXRYYYAGWARGE-QWHCGFSZSA-N 2 1 242.326 1.313 20 30 BDEDMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000925689078 646415511 /nfs/dbraw/zinc/41/55/11/646415511.db2.gz ATOGLHQRGHUDRL-GHMZBOCLSA-N 2 1 209.337 1.656 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925694209 646420336 /nfs/dbraw/zinc/42/03/36/646420336.db2.gz UAHVQHPHDJLTLA-GALFJALPSA-N 2 1 248.370 1.306 20 30 BDEDMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000925815253 646492411 /nfs/dbraw/zinc/49/24/11/646492411.db2.gz VAQXGRFPAQGQAU-UWVGGRQHSA-N 2 1 235.306 1.913 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000926489301 646659068 /nfs/dbraw/zinc/65/90/68/646659068.db2.gz GKVSVJZJWWLIBW-WDNDVIMCSA-N 2 1 238.375 1.202 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000926489301 646659069 /nfs/dbraw/zinc/65/90/69/646659069.db2.gz GKVSVJZJWWLIBW-WDNDVIMCSA-N 2 1 238.375 1.202 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@@H+](CCCCC#N)C[C@]2(C)C1 ZINC000702478303 712054260 /nfs/dbraw/zinc/05/42/60/712054260.db2.gz KNDGCDSYGIOJBU-OLZOCXBDSA-N 2 1 221.348 1.564 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCCCO ZINC000378871892 712365417 /nfs/dbraw/zinc/36/54/17/712365417.db2.gz PSBZSCHBOUCQIU-CYBMUJFWSA-N 2 1 226.364 1.082 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCCCO ZINC000378871892 712365418 /nfs/dbraw/zinc/36/54/18/712365418.db2.gz PSBZSCHBOUCQIU-CYBMUJFWSA-N 2 1 226.364 1.082 20 30 BDEDMP CCNC(NC[C@H]1CC[N@H+](C(C)C)C1)=[NH+]CC ZINC000395997472 711218789 /nfs/dbraw/zinc/21/87/89/711218789.db2.gz YHOXFZHZEIVJET-GFCCVEGCSA-N 2 1 240.395 1.292 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000328129113 711689832 /nfs/dbraw/zinc/68/98/32/711689832.db2.gz VQKWDXLURXZQTG-UONOGXRCSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000328129113 711689835 /nfs/dbraw/zinc/68/98/35/711689835.db2.gz VQKWDXLURXZQTG-UONOGXRCSA-N 2 1 238.375 1.489 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921702564 711936091 /nfs/dbraw/zinc/93/60/91/711936091.db2.gz KUEILSYRPCIGJI-UHFFFAOYSA-N 2 1 247.342 1.527 20 30 BDEDMP C[N@H+]1C[C@@H]2C[NH+](CCCCC#N)C[C@]2(C)C1 ZINC000702478303 712054258 /nfs/dbraw/zinc/05/42/58/712054258.db2.gz KNDGCDSYGIOJBU-OLZOCXBDSA-N 2 1 221.348 1.564 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@H+](CCCCC#N)C[C@]2(C)C1 ZINC000702478303 712054259 /nfs/dbraw/zinc/05/42/59/712054259.db2.gz KNDGCDSYGIOJBU-OLZOCXBDSA-N 2 1 221.348 1.564 20 30 BDEDMP C#CCCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000705105410 712122711 /nfs/dbraw/zinc/12/27/11/712122711.db2.gz CPFYTQQNNFOQGI-CYBMUJFWSA-N 2 1 208.349 1.673 20 30 BDEDMP C#CCCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000705105410 712122713 /nfs/dbraw/zinc/12/27/13/712122713.db2.gz CPFYTQQNNFOQGI-CYBMUJFWSA-N 2 1 208.349 1.673 20 30 BDEDMP C#CCCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000705105410 712122715 /nfs/dbraw/zinc/12/27/15/712122715.db2.gz CPFYTQQNNFOQGI-CYBMUJFWSA-N 2 1 208.349 1.673 20 30 BDEDMP C[C@@H]1C[NH+]=C(NCCC[N@H+]2CCCC[C@H]2C)N1 ZINC000383988009 712887935 /nfs/dbraw/zinc/88/79/35/712887935.db2.gz KYXGUVSKFXJYJI-VXGBXAGGSA-N 2 1 238.379 1.188 20 30 BDEDMP C=C[C@](C)(O)C[N@@H+](CC)CCC[NH+](C)C ZINC001252558025 968804669 /nfs/dbraw/zinc/80/46/69/968804669.db2.gz LNODVDMSDSDXEO-LBPRGKRZSA-N 2 1 214.353 1.197 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+](CCC)CCC[NH+](C)C ZINC001252604400 968864135 /nfs/dbraw/zinc/86/41/35/968864135.db2.gz RQNNZHWPXWLOMH-CQSZACIVSA-N 2 1 242.407 1.977 20 30 BDEDMP C=CC[NH+]1CCN([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254522238 969706158 /nfs/dbraw/zinc/70/61/58/969706158.db2.gz FJJUEIFTCCTVAL-AWEZNQCLSA-N 2 1 237.391 1.274 20 30 BDEDMP C=CC[NH+]1CCN([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254522238 969706163 /nfs/dbraw/zinc/70/61/63/969706163.db2.gz FJJUEIFTCCTVAL-AWEZNQCLSA-N 2 1 237.391 1.274 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CCCC#N ZINC001172479681 974780139 /nfs/dbraw/zinc/78/01/39/974780139.db2.gz JKBKXFXGXOEPKZ-NSHDSACASA-N 2 1 220.320 1.864 20 30 BDEDMP Cc1[nH+]c(N2CC[C@](F)(C[NH3+])C2)ccc1CC#N ZINC001157816178 970820693 /nfs/dbraw/zinc/82/06/93/970820693.db2.gz DEKRAYDWUYZOEY-ZDUSSCGKSA-N 2 1 248.305 1.333 20 30 BDEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CC[NH2+]1 ZINC001246278930 972254162 /nfs/dbraw/zinc/25/41/62/972254162.db2.gz CILCBJIUMSGBBZ-NXEZZACHSA-N 2 1 235.356 1.850 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000689825930 958339511 /nfs/dbraw/zinc/33/95/11/958339511.db2.gz BENUFGHDEWDLAW-KGLIPLIRSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000689825930 958339524 /nfs/dbraw/zinc/33/95/24/958339524.db2.gz BENUFGHDEWDLAW-KGLIPLIRSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000689825935 958342033 /nfs/dbraw/zinc/34/20/33/958342033.db2.gz BENUFGHDEWDLAW-UONOGXRCSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000689825935 958342044 /nfs/dbraw/zinc/34/20/44/958342044.db2.gz BENUFGHDEWDLAW-UONOGXRCSA-N 2 1 238.375 1.346 20 30 BDEDMP C[C@H]1C[N@H+](Cc2cccc(C#N)c2F)C[C@H]1C[NH3+] ZINC000708839482 959861462 /nfs/dbraw/zinc/86/14/62/959861462.db2.gz FKXIBUFZJBWJNE-GXFFZTMASA-N 2 1 247.317 1.724 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2cccc(C#N)c2F)C[C@H]1C[NH3+] ZINC000708839482 959861468 /nfs/dbraw/zinc/86/14/68/959861468.db2.gz FKXIBUFZJBWJNE-GXFFZTMASA-N 2 1 247.317 1.724 20 30 BDEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205094155 967338151 /nfs/dbraw/zinc/33/81/51/967338151.db2.gz JETKDHXEGYMPGQ-OAHLLOKOSA-N 2 1 243.354 1.914 20 30 BDEDMP C#CCCC[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205984617 967932828 /nfs/dbraw/zinc/93/28/28/967932828.db2.gz SNZLTWXLRQFZEV-STQMWFEESA-N 2 1 208.349 1.707 20 30 BDEDMP C#Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206188231 968115474 /nfs/dbraw/zinc/11/54/74/968115474.db2.gz UVNYQLRJHINVBW-GJZGRUSLSA-N 2 1 246.329 1.929 20 30 BDEDMP C#Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206183076 968116515 /nfs/dbraw/zinc/11/65/15/968116515.db2.gz FIEBSHJYRKDVTH-GJZGRUSLSA-N 2 1 246.329 1.929 20 30 BDEDMP C=C[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001253609565 969310995 /nfs/dbraw/zinc/31/09/95/969310995.db2.gz VOPPQGRASHDIJK-RVMXOQNASA-N 2 1 224.348 1.138 20 30 BDEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCS)C2 ZINC001169096488 969388707 /nfs/dbraw/zinc/38/87/07/969388707.db2.gz XKQAEOVIYRKQTR-OWUUHHOZSA-N 2 1 200.351 1.131 20 30 BDEDMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254656191 969765062 /nfs/dbraw/zinc/76/50/62/969765062.db2.gz IXIOYCVQNUJCDJ-GRYCIOLGSA-N 2 1 207.321 1.220 20 30 BDEDMP C=CCO[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001327416178 972571478 /nfs/dbraw/zinc/57/14/78/972571478.db2.gz PNEWPCNZYKDSBO-MGPQQGTHSA-N 2 1 238.375 1.651 20 30 BDEDMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001246550425 972708844 /nfs/dbraw/zinc/70/88/44/972708844.db2.gz JNENWMBHFMQUFB-XQQFMLRXSA-N 2 1 221.348 1.882 20 30 BDEDMP CC[C@H](CC#N)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246567396 972817385 /nfs/dbraw/zinc/81/73/85/972817385.db2.gz KSOBIPLQEVTRNU-FRRDWIJNSA-N 2 1 223.364 1.985 20 30 BDEDMP N#CC1CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246594672 973002891 /nfs/dbraw/zinc/00/28/91/973002891.db2.gz XCTIXCKWNLMLKL-FIYWTHMPSA-N 2 1 239.338 1.830 20 30 BDEDMP N#CC1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246594672 973002904 /nfs/dbraw/zinc/00/29/04/973002904.db2.gz XCTIXCKWNLMLKL-FIYWTHMPSA-N 2 1 239.338 1.830 20 30 BDEDMP N#CC1CCC([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246594720 973005437 /nfs/dbraw/zinc/00/54/37/973005437.db2.gz XCTIXCKWNLMLKL-TYUFSLCMSA-N 2 1 239.338 1.830 20 30 BDEDMP N#CC1CCC([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246594720 973005449 /nfs/dbraw/zinc/00/54/49/973005449.db2.gz XCTIXCKWNLMLKL-TYUFSLCMSA-N 2 1 239.338 1.830 20 30 BDEDMP C[N@H+]1CCC[C@H]1CO[C@H](CC#N)C[N+](C)(C)C ZINC001224817673 973999443 /nfs/dbraw/zinc/99/94/43/973999443.db2.gz XDDWBLWOEXSIEN-QWHCGFSZSA-N 2 1 240.371 1.086 20 30 BDEDMP C=CCCC[N@@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206156697 974332949 /nfs/dbraw/zinc/33/29/49/974332949.db2.gz SCGYBMNVRSCLTG-GHMZBOCLSA-N 2 1 200.301 1.714 20 30 BDEDMP C=CCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156697 974332958 /nfs/dbraw/zinc/33/29/58/974332958.db2.gz SCGYBMNVRSCLTG-GHMZBOCLSA-N 2 1 200.301 1.714 20 30 BDEDMP C=CCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156697 974332966 /nfs/dbraw/zinc/33/29/66/974332966.db2.gz SCGYBMNVRSCLTG-GHMZBOCLSA-N 2 1 200.301 1.714 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cccn1C1CC1 ZINC001331287205 974670441 /nfs/dbraw/zinc/67/04/41/974670441.db2.gz BETYWEKFOKJEJF-UHFFFAOYSA-N 2 1 245.370 1.868 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccn1C1CC1 ZINC001331287205 974670444 /nfs/dbraw/zinc/67/04/44/974670444.db2.gz BETYWEKFOKJEJF-UHFFFAOYSA-N 2 1 245.370 1.868 20 30 BDEDMP CC(C)(C[NH3+])[NH2+]C1CCC(C)(C#N)CC1 ZINC001173587504 975428868 /nfs/dbraw/zinc/42/88/68/975428868.db2.gz ZSKXJPFUHGAVSE-UHFFFAOYSA-N 2 1 209.337 1.786 20 30 BDEDMP C[C@@H](C[NH3+])C[N@@H+](C)C1CCC(C)(C#N)CC1 ZINC001173590475 975441629 /nfs/dbraw/zinc/44/16/29/975441629.db2.gz JZJMOXWMASCISF-HIFPTAJRSA-N 2 1 223.364 1.985 20 30 BDEDMP N#Cc1cncc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC000721583036 977496058 /nfs/dbraw/zinc/49/60/58/977496058.db2.gz ZOJRLZUKOWMBAH-LBPRGKRZSA-N 2 1 244.342 1.514 20 30 BDEDMP N#Cc1cncc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC000721583036 977496086 /nfs/dbraw/zinc/49/60/86/977496086.db2.gz ZOJRLZUKOWMBAH-LBPRGKRZSA-N 2 1 244.342 1.514 20 30 BDEDMP CC(C)[N@H+]1CC[C@@H](CNC[C@H](C#N)CCC#N)C1 ZINC001336763767 977933207 /nfs/dbraw/zinc/93/32/07/977933207.db2.gz RSTPMRFANYYFGE-KBPBESRZSA-N 2 1 248.374 1.750 20 30 BDEDMP C=CCNCC[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC001236212111 979455786 /nfs/dbraw/zinc/45/57/86/979455786.db2.gz DKMWTIDQFDSGQF-UHFFFAOYSA-N 2 1 225.380 1.224 20 30 BDEDMP C=CCNCC[N@H+](C)C1CCC([NH2+]C)CC1 ZINC001236212111 979455793 /nfs/dbraw/zinc/45/57/93/979455793.db2.gz DKMWTIDQFDSGQF-UHFFFAOYSA-N 2 1 225.380 1.224 20 30 BDEDMP N#Cc1ccc(CCC[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236242937 979462463 /nfs/dbraw/zinc/46/24/63/979462463.db2.gz NNNPQSOXLKQJRK-OAHLLOKOSA-N 2 1 243.354 1.914 20 30 BDEDMP N#Cc1ccc(CCC[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236242937 979462467 /nfs/dbraw/zinc/46/24/67/979462467.db2.gz NNNPQSOXLKQJRK-OAHLLOKOSA-N 2 1 243.354 1.914 20 30 BDEDMP C#CCCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314983 979525403 /nfs/dbraw/zinc/52/54/03/979525403.db2.gz UBXKERINJLXENK-BETUJISGSA-N 2 1 206.333 1.331 20 30 BDEDMP C=C[C@](C)(O)C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC001252575120 983829509 /nfs/dbraw/zinc/82/95/09/983829509.db2.gz VKAMSEDLWCJPJX-KGLIPLIRSA-N 2 1 240.391 1.778 20 30 BDEDMP CC[NH2+]C1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC001577818209 984804453 /nfs/dbraw/zinc/80/44/53/984804453.db2.gz CDGFHSLVSWQLEC-NSHDSACASA-N 2 1 209.337 1.753 20 30 BDEDMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC001579499203 986026619 /nfs/dbraw/zinc/02/66/19/986026619.db2.gz DIQMBYGYCDKZNP-MROQNXINSA-N 2 1 221.348 1.799 20 30 BDEDMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC001579499204 986027434 /nfs/dbraw/zinc/02/74/34/986027434.db2.gz DIQMBYGYCDKZNP-YVECIDJPSA-N 2 1 221.348 1.799 20 30 BDEDMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC001579499202 986030038 /nfs/dbraw/zinc/03/00/38/986030038.db2.gz DIQMBYGYCDKZNP-FVCCEPFGSA-N 2 1 221.348 1.799 20 30 BDEDMP C=C[C@H](O)C[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001253611686 986288784 /nfs/dbraw/zinc/28/87/84/986288784.db2.gz SNEQCVPGUQBBSY-AGIUHOORSA-N 2 1 226.364 1.242 20 30 BDEDMP N#CC1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCOCC1 ZINC001580041125 986452947 /nfs/dbraw/zinc/45/29/47/986452947.db2.gz VKOMZRDDDOHOJF-GFCCVEGCSA-N 2 1 237.347 1.038 20 30 BDEDMP N#Cc1csc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1 ZINC001580081926 986526283 /nfs/dbraw/zinc/52/62/83/986526283.db2.gz VBXVXSGNZNJGER-KYZUINATSA-N 2 1 207.302 1.199 20 30 BDEDMP C=CCC[C@@H](O)C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001245976477 987252827 /nfs/dbraw/zinc/25/28/27/987252827.db2.gz TYIUFPZCQNTHSG-SDDRHHMPSA-N 2 1 212.337 1.044 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1[C@@H](C)CC[C@H]1CN ZINC001246014818 987294772 /nfs/dbraw/zinc/29/47/72/987294772.db2.gz DIBTYUQJOVEFJB-SRVKXCTJSA-N 2 1 212.337 1.125 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246014818 987294788 /nfs/dbraw/zinc/29/47/88/987294788.db2.gz DIBTYUQJOVEFJB-SRVKXCTJSA-N 2 1 212.337 1.125 20 30 BDEDMP C=C[C@](C)(O)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246018322 987302019 /nfs/dbraw/zinc/30/20/19/987302019.db2.gz AUSIFEIIDPXLSN-STQMWFEESA-N 2 1 226.364 1.374 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246021576 987307821 /nfs/dbraw/zinc/30/78/21/987307821.db2.gz KQTOBTUQYMICQC-RDBSUJKOSA-N 2 1 240.391 1.620 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246019465 987308169 /nfs/dbraw/zinc/30/81/69/987308169.db2.gz FKOUWPFWEXXWRQ-KGLIPLIRSA-N 2 1 240.391 1.764 20 30 BDEDMP C[C@@H](CCCC#N)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246547502 987928308 /nfs/dbraw/zinc/92/83/08/987928308.db2.gz QDDRXAKTFIUECA-SRVKXCTJSA-N 2 1 209.337 1.880 20 30 BDEDMP C[C@@H](CCCC#N)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246547502 987928317 /nfs/dbraw/zinc/92/83/17/987928317.db2.gz QDDRXAKTFIUECA-SRVKXCTJSA-N 2 1 209.337 1.880 20 30 BDEDMP CC[C@H](CC#N)[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246552523 987950591 /nfs/dbraw/zinc/95/05/91/987950591.db2.gz PNMCMOSQZADPJW-VXGBXAGGSA-N 2 1 209.337 1.882 20 30 BDEDMP CC[C@H](CC#N)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246552523 987950601 /nfs/dbraw/zinc/95/06/01/987950601.db2.gz PNMCMOSQZADPJW-VXGBXAGGSA-N 2 1 209.337 1.882 20 30 BDEDMP CC[C@@H](CC#N)[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246552519 987955055 /nfs/dbraw/zinc/95/50/55/987955055.db2.gz PNMCMOSQZADPJW-NWDGAFQWSA-N 2 1 209.337 1.882 20 30 BDEDMP CC[C@@H](CC#N)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246552519 987955065 /nfs/dbraw/zinc/95/50/65/987955065.db2.gz PNMCMOSQZADPJW-NWDGAFQWSA-N 2 1 209.337 1.882 20 30 BDEDMP CC[C@H](CC#N)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246555444 987965951 /nfs/dbraw/zinc/96/59/51/987965951.db2.gz FEXHKZXBRXEYMK-RWMBFGLXSA-N 2 1 223.364 1.985 20 30 BDEDMP C=CCC[C@H](C)[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246616720 988253252 /nfs/dbraw/zinc/25/32/52/988253252.db2.gz DAESAMLZGXFIFT-IHRRRGAJSA-N 2 1 237.391 1.367 20 30 BDEDMP N#C[C@H]1CC[C@@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246635065 988323171 /nfs/dbraw/zinc/32/31/71/988323171.db2.gz PZAZJCKMKXZXED-WHOHXGKFSA-N 2 1 205.305 1.115 20 30 BDEDMP N#C[C@H]1CC[C@@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246635065 988323194 /nfs/dbraw/zinc/32/31/94/988323194.db2.gz PZAZJCKMKXZXED-WHOHXGKFSA-N 2 1 205.305 1.115 20 30 BDEDMP C[C@@H]1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C[NH2+]1 ZINC001246834194 988534855 /nfs/dbraw/zinc/53/48/55/988534855.db2.gz NGBVTGZCDQNPEX-XGFWRYKXSA-N 2 1 233.359 1.893 20 30 BDEDMP C[C@@H]1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C[NH2+]1 ZINC001246834194 988534864 /nfs/dbraw/zinc/53/48/64/988534864.db2.gz NGBVTGZCDQNPEX-XGFWRYKXSA-N 2 1 233.359 1.893 20 30 BDEDMP C[C@H]1C[C@@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC[NH2+]1 ZINC001246835936 988535387 /nfs/dbraw/zinc/53/53/87/988535387.db2.gz VXPHVZVIIXKDCZ-YHQUGGNUSA-N 2 1 233.359 1.893 20 30 BDEDMP C=C[C@@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001262365238 992861455 /nfs/dbraw/zinc/86/14/55/992861455.db2.gz VWDCBCDAMIUQMS-WODVXLOZSA-N 2 1 224.348 1.402 20 30 BDEDMP C=C[C@@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001262365238 992861459 /nfs/dbraw/zinc/86/14/59/992861459.db2.gz VWDCBCDAMIUQMS-WODVXLOZSA-N 2 1 224.348 1.402 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH2+]C ZINC001574901211 992941895 /nfs/dbraw/zinc/94/18/95/992941895.db2.gz BYABTVDVPUXVIQ-KGLIPLIRSA-N 2 1 240.391 1.778 20 30 BDEDMP C=CCSCC[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001574950377 992947389 /nfs/dbraw/zinc/94/73/89/992947389.db2.gz GWGWFUYXEAOJKJ-MRVPVSSYSA-N 2 1 242.310 1.775 20 30 BDEDMP CC[C@@H](CC#N)[NH2+]CCC1([NH3+])CCOCC1 ZINC001577040737 993484945 /nfs/dbraw/zinc/48/49/45/993484945.db2.gz GQGYJBUCSXAIIT-NSHDSACASA-N 2 1 225.336 1.166 20 30 BDEDMP C=CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702543512 994020673 /nfs/dbraw/zinc/02/06/73/994020673.db2.gz CKYWSCRBFJFHGH-OAHLLOKOSA-N 2 1 246.354 1.399 20 30 BDEDMP C=CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702543512 994020683 /nfs/dbraw/zinc/02/06/83/994020683.db2.gz CKYWSCRBFJFHGH-OAHLLOKOSA-N 2 1 246.354 1.399 20 30 BDEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430750231 398230249 /nfs/dbraw/zinc/23/02/49/398230249.db2.gz NBSCNIYAHNVEHT-JHJVBQTASA-N 2 1 235.375 1.999 20 30 BDEDMP C[C@H](CCC#N)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000602493883 349572951 /nfs/dbraw/zinc/57/29/51/349572951.db2.gz MTMKWHGNXKBTAI-UTUOFQBUSA-N 2 1 207.321 1.077 20 30 BDEDMP CC[N@H+](C)C[C@H]1CC[NH+](CC2(CC#N)CC2)C1 ZINC000602777657 349744767 /nfs/dbraw/zinc/74/47/67/349744767.db2.gz JQWKNYMZYHFDFY-CYBMUJFWSA-N 2 1 235.375 1.954 20 30 BDEDMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2(CC#N)CC2)C1 ZINC000602777657 349744768 /nfs/dbraw/zinc/74/47/68/349744768.db2.gz JQWKNYMZYHFDFY-CYBMUJFWSA-N 2 1 235.375 1.954 20 30 BDEDMP CC[NH+](C)C[C@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602777657 349744771 /nfs/dbraw/zinc/74/47/71/349744771.db2.gz JQWKNYMZYHFDFY-CYBMUJFWSA-N 2 1 235.375 1.954 20 30 BDEDMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602777657 349744772 /nfs/dbraw/zinc/74/47/72/349744772.db2.gz JQWKNYMZYHFDFY-CYBMUJFWSA-N 2 1 235.375 1.954 20 30 BDEDMP C=CC[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000625704646 344049819 /nfs/dbraw/zinc/04/98/19/344049819.db2.gz ZFWZVPXBACERIF-OLZOCXBDSA-N 2 1 226.364 1.197 20 30 BDEDMP C=CC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000625704646 344049821 /nfs/dbraw/zinc/04/98/21/344049821.db2.gz ZFWZVPXBACERIF-OLZOCXBDSA-N 2 1 226.364 1.197 20 30 BDEDMP C=CC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000625704646 344049823 /nfs/dbraw/zinc/04/98/23/344049823.db2.gz ZFWZVPXBACERIF-OLZOCXBDSA-N 2 1 226.364 1.197 20 30 BDEDMP CC(C)(C#N)CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283389 344516326 /nfs/dbraw/zinc/51/63/26/344516326.db2.gz ZFKSKUMUGZCZIL-TXEJJXNPSA-N 2 1 221.348 1.468 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCC=C ZINC000294921063 346319861 /nfs/dbraw/zinc/31/98/61/346319861.db2.gz GVHSMCNWEUXCJE-CYBMUJFWSA-N 2 1 208.349 1.886 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCC=C ZINC000294921063 346319863 /nfs/dbraw/zinc/31/98/63/346319863.db2.gz GVHSMCNWEUXCJE-CYBMUJFWSA-N 2 1 208.349 1.886 20 30 BDEDMP CC#CC[C@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000641767984 362698537 /nfs/dbraw/zinc/69/85/37/362698537.db2.gz SUCKVVACHSIINW-CYBMUJFWSA-N 2 1 247.342 1.012 20 30 BDEDMP CC#CCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364514026 347461556 /nfs/dbraw/zinc/46/15/56/347461556.db2.gz OMRMHSJQEPENNG-RBSFLKMASA-N 2 1 232.371 1.816 20 30 BDEDMP CC#CCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364514026 347461557 /nfs/dbraw/zinc/46/15/57/347461557.db2.gz OMRMHSJQEPENNG-RBSFLKMASA-N 2 1 232.371 1.816 20 30 BDEDMP CC#CCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364514026 347461561 /nfs/dbraw/zinc/46/15/61/347461561.db2.gz OMRMHSJQEPENNG-RBSFLKMASA-N 2 1 232.371 1.816 20 30 BDEDMP Cn1c[nH+]cc1CCN1CCC[C@](C)(C#N)C1 ZINC000590956100 347593777 /nfs/dbraw/zinc/59/37/77/347593777.db2.gz SJBGTDRNESSEKT-CYBMUJFWSA-N 2 1 232.331 1.588 20 30 BDEDMP Cn1cncc1CC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000590956100 347593780 /nfs/dbraw/zinc/59/37/80/347593780.db2.gz SJBGTDRNESSEKT-CYBMUJFWSA-N 2 1 232.331 1.588 20 30 BDEDMP CC1(C#N)CCC([NH2+]CC[NH2+]C2CC2)CC1 ZINC000591577248 347676938 /nfs/dbraw/zinc/67/69/38/347676938.db2.gz GDKJSKUUXNXOAX-UHFFFAOYSA-N 2 1 221.348 1.800 20 30 BDEDMP N#Cc1cccc(C[NH2+]CC2([NH3+])CCCC2)c1 ZINC000594739237 348110355 /nfs/dbraw/zinc/11/03/55/348110355.db2.gz PRIOIIHDBZVEPP-UHFFFAOYSA-N 2 1 229.327 1.919 20 30 BDEDMP C=CC[C@@H](CO)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623483550 362907729 /nfs/dbraw/zinc/90/77/29/362907729.db2.gz KERAAGPUISINIY-OLZOCXBDSA-N 2 1 240.391 1.633 20 30 BDEDMP C[C@@]1(C#N)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000595888316 348389165 /nfs/dbraw/zinc/38/91/65/348389165.db2.gz XLEKSHTUXVKYMW-LBPRGKRZSA-N 2 1 207.321 1.222 20 30 BDEDMP CC#CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266757290 187398693 /nfs/dbraw/zinc/39/86/93/187398693.db2.gz PJMQXBCGUJVDDR-UHFFFAOYSA-N 2 1 203.289 1.612 20 30 BDEDMP C#CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185720014 259408508 /nfs/dbraw/zinc/40/85/08/259408508.db2.gz KEWRDKDNNXRDPS-OLZOCXBDSA-N 2 1 220.360 1.862 20 30 BDEDMP C=CC[N@@H+](CCCn1cc[nH+]c1C)CCOC ZINC000336698301 350453127 /nfs/dbraw/zinc/45/31/27/350453127.db2.gz VOZHCKBAEBJTON-UHFFFAOYSA-N 2 1 237.347 1.716 20 30 BDEDMP C=CC[N@H+](CCCn1cc[nH+]c1C)CCOC ZINC000336698301 350453131 /nfs/dbraw/zinc/45/31/31/350453131.db2.gz VOZHCKBAEBJTON-UHFFFAOYSA-N 2 1 237.347 1.716 20 30 BDEDMP C=CC1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336718280 350469073 /nfs/dbraw/zinc/46/90/73/350469073.db2.gz RACVVQWENHDKIC-AWEZNQCLSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CC1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000336718280 350469076 /nfs/dbraw/zinc/46/90/76/350469076.db2.gz RACVVQWENHDKIC-AWEZNQCLSA-N 2 1 238.375 1.340 20 30 BDEDMP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1CC[C@@H](C#N)C1 ZINC000336654285 191124148 /nfs/dbraw/zinc/12/41/48/191124148.db2.gz GNZJEQPRVOCEPG-UPJWGTAASA-N 2 1 223.364 1.997 20 30 BDEDMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336654285 191124152 /nfs/dbraw/zinc/12/41/52/191124152.db2.gz GNZJEQPRVOCEPG-UPJWGTAASA-N 2 1 223.364 1.997 20 30 BDEDMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336654285 191124155 /nfs/dbraw/zinc/12/41/55/191124155.db2.gz GNZJEQPRVOCEPG-UPJWGTAASA-N 2 1 223.364 1.997 20 30 BDEDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336684601 350919823 /nfs/dbraw/zinc/91/98/23/350919823.db2.gz SVAQJNYYWNNJJL-QWHCGFSZSA-N 2 1 223.364 1.999 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000336740145 352368564 /nfs/dbraw/zinc/36/85/64/352368564.db2.gz LZCWVUGFPBOCBN-AVGNSLFASA-N 2 1 226.364 1.101 20 30 BDEDMP C=C(C)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129268430 353313887 /nfs/dbraw/zinc/31/38/87/353313887.db2.gz JRZBWAZUOKEVFO-ZDUSSCGKSA-N 2 1 224.348 1.217 20 30 BDEDMP COc1cc(C[NH2+][C@H](C)C2C[NH2+]C2)ccc1C#N ZINC000423128615 192578119 /nfs/dbraw/zinc/57/81/19/192578119.db2.gz VVOCUZOWUMVLHA-SNVBAGLBSA-N 2 1 245.326 1.264 20 30 BDEDMP C=CCCCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765956 356696889 /nfs/dbraw/zinc/69/68/89/356696889.db2.gz KVCMDBBYECNFRW-AWEZNQCLSA-N 2 1 240.391 1.731 20 30 BDEDMP C[N@@H+]1CC[C@H]2CC[NH+](CCCCC#N)[C@@H]2C1 ZINC000361100839 134203346 /nfs/dbraw/zinc/20/33/46/134203346.db2.gz APECTUCXKUMMFM-QWHCGFSZSA-N 2 1 221.348 1.706 20 30 BDEDMP C[N@H+]1CC[C@H]2CC[NH+](CCCCC#N)[C@@H]2C1 ZINC000361100839 134203347 /nfs/dbraw/zinc/20/33/47/134203347.db2.gz APECTUCXKUMMFM-QWHCGFSZSA-N 2 1 221.348 1.706 20 30 BDEDMP C[NH+]1CC[C@H]2CC[N@H+](CCCCC#N)[C@@H]2C1 ZINC000361100839 134203348 /nfs/dbraw/zinc/20/33/48/134203348.db2.gz APECTUCXKUMMFM-QWHCGFSZSA-N 2 1 221.348 1.706 20 30 BDEDMP C[NH+]1CC[C@H]2CC[N@@H+](CCCCC#N)[C@@H]2C1 ZINC000361100839 134203349 /nfs/dbraw/zinc/20/33/49/134203349.db2.gz APECTUCXKUMMFM-QWHCGFSZSA-N 2 1 221.348 1.706 20 30 BDEDMP C=CCCC[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000398193119 357859392 /nfs/dbraw/zinc/85/93/92/357859392.db2.gz SDYPKTSWMQEWGS-JSGCOSHPSA-N 2 1 240.391 1.776 20 30 BDEDMP C=CCCC[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000398193119 357859395 /nfs/dbraw/zinc/85/93/95/357859395.db2.gz SDYPKTSWMQEWGS-JSGCOSHPSA-N 2 1 240.391 1.776 20 30 BDEDMP C[NH+]1CCC([NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000399128954 357896704 /nfs/dbraw/zinc/89/67/04/357896704.db2.gz MBERGMLIGGRCLK-UHFFFAOYSA-N 2 1 243.354 1.936 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCO[C@@H]2C)CC1 ZINC000121044938 134231191 /nfs/dbraw/zinc/23/11/91/134231191.db2.gz DBGJFHBJGJFWBG-OCCSQVGLSA-N 2 1 238.375 1.794 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000128873119 358581917 /nfs/dbraw/zinc/58/19/17/358581917.db2.gz AMYRKPKAHHTFOF-CHWSQXEVSA-N 2 1 226.364 1.197 20 30 BDEDMP C=C(C)COCC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246410655 359078972 /nfs/dbraw/zinc/07/89/72/359078972.db2.gz MKVMGIKYMDQYPD-KBPBESRZSA-N 2 1 240.391 1.899 20 30 BDEDMP C=CCC[C@H](O)C[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000247647064 359238615 /nfs/dbraw/zinc/23/86/15/359238615.db2.gz WFGZFNKEIFGANT-IHRRRGAJSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247647064 359238618 /nfs/dbraw/zinc/23/86/18/359238618.db2.gz WFGZFNKEIFGANT-IHRRRGAJSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247647064 359238620 /nfs/dbraw/zinc/23/86/20/359238620.db2.gz WFGZFNKEIFGANT-IHRRRGAJSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247647064 359238621 /nfs/dbraw/zinc/23/86/21/359238621.db2.gz WFGZFNKEIFGANT-IHRRRGAJSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247647064 359238623 /nfs/dbraw/zinc/23/86/23/359238623.db2.gz WFGZFNKEIFGANT-IHRRRGAJSA-N 2 1 240.391 1.728 20 30 BDEDMP C[C@@]1(C#N)CCC[N@H+](CCn2ccnc2)C1 ZINC000612167291 359715966 /nfs/dbraw/zinc/71/59/66/359715966.db2.gz KQTQQUWHODXJRU-LBPRGKRZSA-N 2 1 218.304 1.509 20 30 BDEDMP C[C@@]1(C#N)CCC[N@@H+](CCn2ccnc2)C1 ZINC000612167291 359715971 /nfs/dbraw/zinc/71/59/71/359715971.db2.gz KQTQQUWHODXJRU-LBPRGKRZSA-N 2 1 218.304 1.509 20 30 BDEDMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000429680656 201125320 /nfs/dbraw/zinc/12/53/20/201125320.db2.gz IRCZAASWMDXNBE-MELADBBJSA-N 2 1 235.375 1.952 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000429680656 201125324 /nfs/dbraw/zinc/12/53/24/201125324.db2.gz IRCZAASWMDXNBE-MELADBBJSA-N 2 1 235.375 1.952 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000429680656 201125328 /nfs/dbraw/zinc/12/53/28/201125328.db2.gz IRCZAASWMDXNBE-MELADBBJSA-N 2 1 235.375 1.952 20 30 BDEDMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000429680655 201127966 /nfs/dbraw/zinc/12/79/66/201127966.db2.gz IRCZAASWMDXNBE-IHRRRGAJSA-N 2 1 235.375 1.952 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000429680655 201127970 /nfs/dbraw/zinc/12/79/70/201127970.db2.gz IRCZAASWMDXNBE-IHRRRGAJSA-N 2 1 235.375 1.952 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000429680655 201127972 /nfs/dbraw/zinc/12/79/72/201127972.db2.gz IRCZAASWMDXNBE-IHRRRGAJSA-N 2 1 235.375 1.952 20 30 BDEDMP C=CC[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000629546509 361428677 /nfs/dbraw/zinc/42/86/77/361428677.db2.gz CZIBRLXVUTYXQM-STQMWFEESA-N 2 1 208.349 1.884 20 30 BDEDMP C#CCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367592553 367086942 /nfs/dbraw/zinc/08/69/42/367086942.db2.gz DBVLTAPJDFAWGN-MJBXVCDLSA-N 2 1 220.360 1.862 20 30 BDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@H]1C[NH3+] ZINC000601965143 369729020 /nfs/dbraw/zinc/72/90/20/369729020.db2.gz VNWMIFPCWZGSEG-NXEZZACHSA-N 2 1 219.288 1.178 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@H]1C[NH3+] ZINC000601965143 369729023 /nfs/dbraw/zinc/72/90/23/369729023.db2.gz VNWMIFPCWZGSEG-NXEZZACHSA-N 2 1 219.288 1.178 20 30 BDEDMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000131509941 371612510 /nfs/dbraw/zinc/61/25/10/371612510.db2.gz LOTLOAKMHWZMTE-FZMZJTMJSA-N 2 1 229.327 1.870 20 30 BDEDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000131509941 371612516 /nfs/dbraw/zinc/61/25/16/371612516.db2.gz LOTLOAKMHWZMTE-FZMZJTMJSA-N 2 1 229.327 1.870 20 30 BDEDMP CC#CCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000155929533 206074514 /nfs/dbraw/zinc/07/45/14/206074514.db2.gz BUNWLJVRMNMZBO-OLZOCXBDSA-N 2 1 208.349 1.814 20 30 BDEDMP CC#CCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000155929533 206074519 /nfs/dbraw/zinc/07/45/19/206074519.db2.gz BUNWLJVRMNMZBO-OLZOCXBDSA-N 2 1 208.349 1.814 20 30 BDEDMP CC#CCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000155929533 206074524 /nfs/dbraw/zinc/07/45/24/206074524.db2.gz BUNWLJVRMNMZBO-OLZOCXBDSA-N 2 1 208.349 1.814 20 30 BDEDMP CC#CCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000155929533 206074528 /nfs/dbraw/zinc/07/45/28/206074528.db2.gz BUNWLJVRMNMZBO-OLZOCXBDSA-N 2 1 208.349 1.814 20 30 BDEDMP C=CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000363710815 384723243 /nfs/dbraw/zinc/72/32/43/384723243.db2.gz FXITYPPRPSJNAE-HZSPNIEDSA-N 2 1 238.375 1.651 20 30 BDEDMP CC#CC[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000156557407 384877681 /nfs/dbraw/zinc/87/76/81/384877681.db2.gz GEUWTKGFIZKVNA-CHWSQXEVSA-N 2 1 217.316 1.789 20 30 BDEDMP CCC#C[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000644784140 385165353 /nfs/dbraw/zinc/16/53/53/385165353.db2.gz ICCOQFCYASPWAI-UONOGXRCSA-N 2 1 220.360 1.816 20 30 BDEDMP CCC#C[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000644784140 385165360 /nfs/dbraw/zinc/16/53/60/385165360.db2.gz ICCOQFCYASPWAI-UONOGXRCSA-N 2 1 220.360 1.816 20 30 BDEDMP CCC#C[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000644784140 385165364 /nfs/dbraw/zinc/16/53/64/385165364.db2.gz ICCOQFCYASPWAI-UONOGXRCSA-N 2 1 220.360 1.816 20 30 BDEDMP CCC#C[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000644784140 385165372 /nfs/dbraw/zinc/16/53/72/385165372.db2.gz ICCOQFCYASPWAI-UONOGXRCSA-N 2 1 220.360 1.816 20 30 BDEDMP C[C@@H](CNC(=[NH2+])Nc1ccccn1)[N@@H+](C)C1CC1 ZINC000170914794 385455981 /nfs/dbraw/zinc/45/59/81/385455981.db2.gz LZMQKZSCTRUHTA-JTQLQIEISA-N 2 1 247.346 1.291 20 30 BDEDMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000335023568 385983916 /nfs/dbraw/zinc/98/39/16/385983916.db2.gz RRGLUYLHJZRMLM-ABXWRUBCSA-N 2 1 235.375 1.904 20 30 BDEDMP C#CCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366888313 385987080 /nfs/dbraw/zinc/98/70/80/385987080.db2.gz UTHGKGRGFKSFOK-UHFFFAOYSA-N 2 1 220.360 1.818 20 30 BDEDMP C=CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975019 386549367 /nfs/dbraw/zinc/54/93/67/386549367.db2.gz HQHVOXJZQQRIRF-QWHCGFSZSA-N 2 1 208.349 1.884 20 30 BDEDMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185710796 386630335 /nfs/dbraw/zinc/63/03/35/386630335.db2.gz YNMUHHJVROYTRH-WCQYABFASA-N 2 1 221.348 1.753 20 30 BDEDMP CC[N@H+]1CCC[C@H]1CNc1cc(C)ncc1C#N ZINC000399386090 386785184 /nfs/dbraw/zinc/78/51/84/386785184.db2.gz QKMCXMAPGMPJDA-ZDUSSCGKSA-N 2 1 244.342 1.580 20 30 BDEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423514082 387347291 /nfs/dbraw/zinc/34/72/91/387347291.db2.gz LZALHQFFFRMLQN-RWMBFGLXSA-N 2 1 225.380 1.080 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000422979763 387790907 /nfs/dbraw/zinc/79/09/07/387790907.db2.gz NSTHVGQKPNMSCL-ZDUSSCGKSA-N 3 1 239.407 1.744 20 30 BDEDMP C=C(C)COCC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422989199 387798642 /nfs/dbraw/zinc/79/86/42/387798642.db2.gz KTWNQSCTZZJIDL-STQMWFEESA-N 2 1 226.364 1.699 20 30 BDEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423092578 387882745 /nfs/dbraw/zinc/88/27/45/387882745.db2.gz CKQZXOPYFOMGLY-SYQHCUMBSA-N 2 1 238.375 1.555 20 30 BDEDMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000423165503 387948170 /nfs/dbraw/zinc/94/81/70/387948170.db2.gz YEQAFIYWLJYHGR-MROQNXINSA-N 2 1 221.348 1.656 20 30 BDEDMP C#CC[N@@H+](CC#CC)CCCn1ccnc1 ZINC000490924722 388260544 /nfs/dbraw/zinc/26/05/44/388260544.db2.gz RFYBAVOSNTUQOK-UHFFFAOYSA-N 2 1 215.300 1.232 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449520366 388222567 /nfs/dbraw/zinc/22/25/67/388222567.db2.gz PBKQBXWXFIFZBV-RQJABVFESA-N 2 1 236.359 1.546 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H](C)C1 ZINC000328130794 388451570 /nfs/dbraw/zinc/45/15/70/388451570.db2.gz WLKJBSQBCUZYPA-OLZOCXBDSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H](C)C1 ZINC000328130794 388451572 /nfs/dbraw/zinc/45/15/72/388451572.db2.gz WLKJBSQBCUZYPA-OLZOCXBDSA-N 2 1 208.349 1.720 20 30 BDEDMP N#CCc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000573249925 388435709 /nfs/dbraw/zinc/43/57/09/388435709.db2.gz NEHIEADDBLWILO-KBPBESRZSA-N 2 1 229.327 1.722 20 30 BDEDMP C=CC[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000187011033 388604474 /nfs/dbraw/zinc/60/44/74/388604474.db2.gz HLSNXKBLSOCKJT-KGLIPLIRSA-N 2 1 240.391 1.899 20 30 BDEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000530214776 388629371 /nfs/dbraw/zinc/62/93/71/388629371.db2.gz CTAAIHGXFUMZLP-AGIUHOORSA-N 2 1 233.359 1.943 20 30 BDEDMP C=CCOCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000339210738 135065910 /nfs/dbraw/zinc/06/59/10/135065910.db2.gz DXDQPVAKTURJOJ-ZDUSSCGKSA-N 2 1 224.348 1.217 20 30 BDEDMP C=CCOCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000339210738 135065912 /nfs/dbraw/zinc/06/59/12/135065912.db2.gz DXDQPVAKTURJOJ-ZDUSSCGKSA-N 2 1 224.348 1.217 20 30 BDEDMP C=CCOCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000339210738 135065915 /nfs/dbraw/zinc/06/59/15/135065915.db2.gz DXDQPVAKTURJOJ-ZDUSSCGKSA-N 2 1 224.348 1.217 20 30 BDEDMP Cc1[nH+]ccn1CCC[NH+]=C(N(C)C)N(C)C ZINC000264066262 135131034 /nfs/dbraw/zinc/13/10/34/135131034.db2.gz BFJSIISSPVKSJH-UHFFFAOYSA-N 2 1 237.351 1.061 20 30 BDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=[NH2+])NC)C(C)C ZINC000264076425 135131951 /nfs/dbraw/zinc/13/19/51/135131951.db2.gz FWFCAQMWAKFJDT-LBPRGKRZSA-N 2 1 238.379 1.219 20 30 BDEDMP C[NH+]=C(NCCCCn1cc[nH+]c1C)NC1CC1 ZINC000266143507 135147504 /nfs/dbraw/zinc/14/75/04/135147504.db2.gz RIDMDDJHZKQLSP-UHFFFAOYSA-N 2 1 249.362 1.299 20 30 BDEDMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](C)C#N ZINC000270700856 135173614 /nfs/dbraw/zinc/17/36/14/135173614.db2.gz XWZPPMGZJPAEOJ-NSHDSACASA-N 2 1 220.320 1.673 20 30 BDEDMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](C)C#N ZINC000270700856 135173615 /nfs/dbraw/zinc/17/36/15/135173615.db2.gz XWZPPMGZJPAEOJ-NSHDSACASA-N 2 1 220.320 1.673 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261587043 135228561 /nfs/dbraw/zinc/22/85/61/135228561.db2.gz UTZUUDUAOVKXTP-SOUVJXGZSA-N 2 1 241.338 1.727 20 30 BDEDMP C[C@H]1C[NH+]=C(NC[C@H]2[N@@H+](C)CCCC2(C)C)N1 ZINC000262679971 135313042 /nfs/dbraw/zinc/31/30/42/135313042.db2.gz VPZSPSNPDUCUSB-WDEREUQCSA-N 2 1 238.379 1.044 20 30 BDEDMP CNC(=[NH2+])NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000265225934 135362368 /nfs/dbraw/zinc/36/23/68/135362368.db2.gz XTXYSJJZLVPCLG-CYBMUJFWSA-N 2 1 246.358 1.185 20 30 BDEDMP C=CCC[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000320975281 398034904 /nfs/dbraw/zinc/03/49/04/398034904.db2.gz HCMYQEWNFQDSBW-MJBXVCDLSA-N 2 1 238.375 1.530 20 30 BDEDMP C#CC[N@H+](C)CCCCn1cc[nH+]c1C ZINC000491675665 398059463 /nfs/dbraw/zinc/05/94/63/398059463.db2.gz ZTWURPVARNSXCE-UHFFFAOYSA-N 2 1 205.305 1.537 20 30 BDEDMP C#CC[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000491675665 398059464 /nfs/dbraw/zinc/05/94/64/398059464.db2.gz ZTWURPVARNSXCE-UHFFFAOYSA-N 2 1 205.305 1.537 20 30 BDEDMP C=CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000661759986 411870473 /nfs/dbraw/zinc/87/04/73/411870473.db2.gz NNSPTTOCWCGJCI-CYBMUJFWSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000661759986 411870477 /nfs/dbraw/zinc/87/04/77/411870477.db2.gz NNSPTTOCWCGJCI-CYBMUJFWSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000661759986 411870479 /nfs/dbraw/zinc/87/04/79/411870479.db2.gz NNSPTTOCWCGJCI-CYBMUJFWSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000661759986 411870481 /nfs/dbraw/zinc/87/04/81/411870481.db2.gz NNSPTTOCWCGJCI-CYBMUJFWSA-N 2 1 240.391 1.728 20 30 BDEDMP C[C@@H]1C[C@@H](N(C)CCCC#N)CC[N@@H+]1C ZINC000123698465 176371830 /nfs/dbraw/zinc/37/18/30/176371830.db2.gz MOPGPOJTLJODPQ-NEPJUHHUSA-N 2 1 209.337 1.705 20 30 BDEDMP C[C@@H]1C[C@@H](N(C)CCCC#N)CC[N@H+]1C ZINC000123698465 176371831 /nfs/dbraw/zinc/37/18/31/176371831.db2.gz MOPGPOJTLJODPQ-NEPJUHHUSA-N 2 1 209.337 1.705 20 30 BDEDMP C[C@@H]1C[C@@H]([NH+](C)CCCC#N)CC[N@@H+]1C ZINC000123698465 176371832 /nfs/dbraw/zinc/37/18/32/176371832.db2.gz MOPGPOJTLJODPQ-NEPJUHHUSA-N 2 1 209.337 1.705 20 30 BDEDMP C[C@@H]1C[C@@H]([NH+](C)CCCC#N)CC[N@H+]1C ZINC000123698465 176371833 /nfs/dbraw/zinc/37/18/33/176371833.db2.gz MOPGPOJTLJODPQ-NEPJUHHUSA-N 2 1 209.337 1.705 20 30 BDEDMP C[C@@H]1C[C@@H]([N@H+](C)CCCC#N)CC[NH+]1C ZINC000123698465 176371834 /nfs/dbraw/zinc/37/18/34/176371834.db2.gz MOPGPOJTLJODPQ-NEPJUHHUSA-N 2 1 209.337 1.705 20 30 BDEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCCC#N)CC[NH+]1C ZINC000123698465 176371835 /nfs/dbraw/zinc/37/18/35/176371835.db2.gz MOPGPOJTLJODPQ-NEPJUHHUSA-N 2 1 209.337 1.705 20 30 BDEDMP C#CCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000760861097 585400471 /nfs/dbraw/zinc/40/04/71/585400471.db2.gz APBUKRJRIMDYLK-STQMWFEESA-N 2 1 208.349 1.672 20 30 BDEDMP C#CCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000760861097 585400469 /nfs/dbraw/zinc/40/04/69/585400469.db2.gz APBUKRJRIMDYLK-STQMWFEESA-N 2 1 208.349 1.672 20 30 BDEDMP C#CCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000760861097 585400470 /nfs/dbraw/zinc/40/04/70/585400470.db2.gz APBUKRJRIMDYLK-STQMWFEESA-N 2 1 208.349 1.672 20 30 BDEDMP C=CC[C@H](CO)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459460168 324147144 /nfs/dbraw/zinc/14/71/44/324147144.db2.gz IWCMBIRFINJCSO-LBPRGKRZSA-N 2 1 238.375 1.387 20 30 BDEDMP C=C(C)[C@@H](CO)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000677480973 488050283 /nfs/dbraw/zinc/05/02/83/488050283.db2.gz YUAJJMDGWKBIFB-UONOGXRCSA-N 2 1 240.391 1.730 20 30 BDEDMP C=C(C)[C@@H](CO)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000677480973 488050286 /nfs/dbraw/zinc/05/02/86/488050286.db2.gz YUAJJMDGWKBIFB-UONOGXRCSA-N 2 1 240.391 1.730 20 30 BDEDMP C=C(C)[C@@H](CO)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000677480973 488050279 /nfs/dbraw/zinc/05/02/79/488050279.db2.gz YUAJJMDGWKBIFB-UONOGXRCSA-N 2 1 240.391 1.730 20 30 BDEDMP C=C(C)[C@@H](CO)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000677480973 488050281 /nfs/dbraw/zinc/05/02/81/488050281.db2.gz YUAJJMDGWKBIFB-UONOGXRCSA-N 2 1 240.391 1.730 20 30 BDEDMP C=C(C)[C@@H](CO)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000677480975 488050342 /nfs/dbraw/zinc/05/03/42/488050342.db2.gz YUAJJMDGWKBIFB-ZIAGYGMSSA-N 2 1 240.391 1.730 20 30 BDEDMP C=C(C)[C@@H](CO)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000677480975 488050345 /nfs/dbraw/zinc/05/03/45/488050345.db2.gz YUAJJMDGWKBIFB-ZIAGYGMSSA-N 2 1 240.391 1.730 20 30 BDEDMP C=C(C)[C@@H](CO)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000677480975 488050348 /nfs/dbraw/zinc/05/03/48/488050348.db2.gz YUAJJMDGWKBIFB-ZIAGYGMSSA-N 2 1 240.391 1.730 20 30 BDEDMP C=C(C)[C@@H](CO)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000677480975 488050350 /nfs/dbraw/zinc/05/03/50/488050350.db2.gz YUAJJMDGWKBIFB-ZIAGYGMSSA-N 2 1 240.391 1.730 20 30 BDEDMP COCC#CC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000677816908 488130107 /nfs/dbraw/zinc/13/01/07/488130107.db2.gz DLPUCMXFBDNMMV-ZDUSSCGKSA-N 2 1 233.315 1.170 20 30 BDEDMP COCC#CCN1CCC[C@H](n2ccnc2)C1 ZINC000677816908 488130116 /nfs/dbraw/zinc/13/01/16/488130116.db2.gz DLPUCMXFBDNMMV-ZDUSSCGKSA-N 2 1 233.315 1.170 20 30 BDEDMP C=CC[C@H](CO)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000353128874 534396760 /nfs/dbraw/zinc/39/67/60/534396760.db2.gz LQXINQIKYFONKS-LBPRGKRZSA-N 2 1 249.358 1.422 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000341888218 534401542 /nfs/dbraw/zinc/40/15/42/534401542.db2.gz QBHSTLOZGCGRJX-MELADBBJSA-N 2 1 240.391 1.491 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000491165939 526827794 /nfs/dbraw/zinc/82/77/94/526827794.db2.gz ODLYPNAPEPQTNQ-ZIAGYGMSSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000491165939 526827797 /nfs/dbraw/zinc/82/77/97/526827797.db2.gz ODLYPNAPEPQTNQ-ZIAGYGMSSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000491773537 526936087 /nfs/dbraw/zinc/93/60/87/526936087.db2.gz VIRQXZWCZAOSOY-UHFFFAOYSA-N 2 1 249.402 1.112 20 30 BDEDMP C#C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000300848633 582610334 /nfs/dbraw/zinc/61/03/34/582610334.db2.gz DYWRAAGNZAJBSG-IHRRRGAJSA-N 2 1 220.360 1.861 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)cccc1O ZINC000894863871 583536026 /nfs/dbraw/zinc/53/60/26/583536026.db2.gz YYSNRMCAVJTFMU-UHFFFAOYSA-N 2 1 246.354 1.745 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)cccc1O ZINC000894863871 583536027 /nfs/dbraw/zinc/53/60/27/583536027.db2.gz YYSNRMCAVJTFMU-UHFFFAOYSA-N 2 1 246.354 1.745 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]CCC[C@H]1CCO1 ZINC000894863592 583536342 /nfs/dbraw/zinc/53/63/42/583536342.db2.gz LFDUCGDSTSDVHH-ZDUSSCGKSA-N 2 1 224.348 1.100 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]CCC[C@H]1CCO1 ZINC000894863592 583536343 /nfs/dbraw/zinc/53/63/43/583536343.db2.gz LFDUCGDSTSDVHH-ZDUSSCGKSA-N 2 1 224.348 1.100 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000894863746 583536409 /nfs/dbraw/zinc/53/64/09/583536409.db2.gz PYUSHVFQGAKFIK-SNVBAGLBSA-N 2 1 249.185 1.725 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000894863746 583536411 /nfs/dbraw/zinc/53/64/11/583536411.db2.gz PYUSHVFQGAKFIK-SNVBAGLBSA-N 2 1 249.185 1.725 20 30 BDEDMP CC(C)[N@H+]1CC[C@@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000203023246 583962290 /nfs/dbraw/zinc/96/22/90/583962290.db2.gz AKIBHFRAORHAEP-NSHDSACASA-N 2 1 240.395 1.420 20 30 BDEDMP N#CC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000903033532 584718383 /nfs/dbraw/zinc/71/83/83/584718383.db2.gz WRAFXLCGQFRRFN-CHWSQXEVSA-N 2 1 233.359 1.897 20 30 BDEDMP C=CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903507120 584781682 /nfs/dbraw/zinc/78/16/82/584781682.db2.gz NSFGZDFSEMPGEQ-OKILXGFUSA-N 2 1 235.375 1.073 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903806629 584802759 /nfs/dbraw/zinc/80/27/59/584802759.db2.gz YSFZBZXXEQOCMD-MELADBBJSA-N 2 1 238.375 1.517 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903806629 584802760 /nfs/dbraw/zinc/80/27/60/584802760.db2.gz YSFZBZXXEQOCMD-MELADBBJSA-N 2 1 238.375 1.517 20 30 BDEDMP C=CCCC[N@H+](CC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903850539 584808020 /nfs/dbraw/zinc/80/80/20/584808020.db2.gz UFUVHWSXZUFZIF-CYBMUJFWSA-N 2 1 238.375 1.653 20 30 BDEDMP C=CCCC[N@H+](CC)C[C@](C)(O)C[NH2+]C ZINC000903850712 584808359 /nfs/dbraw/zinc/80/83/59/584808359.db2.gz XSEDLAWTVJACJX-GFCCVEGCSA-N 2 1 214.353 1.245 20 30 BDEDMP C[NH+](C)[C@@H]1CCCC(=NN2CC[NH+](C)CC2)C1 ZINC000788409606 585922781 /nfs/dbraw/zinc/92/27/81/585922781.db2.gz VUHPEPAATOQZHM-CYBMUJFWSA-N 2 1 238.379 1.094 20 30 BDEDMP C[C@H](C#N)OCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000801924482 586277514 /nfs/dbraw/zinc/27/75/14/586277514.db2.gz PQJXWKAQIIDWGJ-YNEHKIRRSA-N 2 1 239.363 1.330 20 30 BDEDMP C[C@H](C#N)OCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000801924482 586277515 /nfs/dbraw/zinc/27/75/15/586277515.db2.gz PQJXWKAQIIDWGJ-YNEHKIRRSA-N 2 1 239.363 1.330 20 30 BDEDMP C[C@H](C#N)OCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000801924482 586277516 /nfs/dbraw/zinc/27/75/16/586277516.db2.gz PQJXWKAQIIDWGJ-YNEHKIRRSA-N 2 1 239.363 1.330 20 30 BDEDMP C[C@H](C#N)OCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000801924482 586277517 /nfs/dbraw/zinc/27/75/17/586277517.db2.gz PQJXWKAQIIDWGJ-YNEHKIRRSA-N 2 1 239.363 1.330 20 30 BDEDMP CC[N@H+](C)C[C@H]1CC[NH+](CCO[C@H](C)C#N)C1 ZINC000801924810 586278079 /nfs/dbraw/zinc/27/80/79/586278079.db2.gz VJWZPFHEULKCBH-CHWSQXEVSA-N 2 1 239.363 1.189 20 30 BDEDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCO[C@H](C)C#N)C1 ZINC000801924810 586278081 /nfs/dbraw/zinc/27/80/81/586278081.db2.gz VJWZPFHEULKCBH-CHWSQXEVSA-N 2 1 239.363 1.189 20 30 BDEDMP CC[NH+](C)C[C@H]1CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000801924810 586278083 /nfs/dbraw/zinc/27/80/83/586278083.db2.gz VJWZPFHEULKCBH-CHWSQXEVSA-N 2 1 239.363 1.189 20 30 BDEDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCO[C@H](C)C#N)C1 ZINC000801924810 586278085 /nfs/dbraw/zinc/27/80/85/586278085.db2.gz VJWZPFHEULKCBH-CHWSQXEVSA-N 2 1 239.363 1.189 20 30 BDEDMP C=CCNC(=[NH2+])NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000848996036 588429159 /nfs/dbraw/zinc/42/91/59/588429159.db2.gz AMYPKYQLWAGSHJ-LLVKDONJSA-N 2 1 224.352 1.017 20 30 BDEDMP CN1CCC[NH+]=C1NCCCC[N@@H+](C)C1CC1 ZINC000849039671 588447169 /nfs/dbraw/zinc/44/71/69/588447169.db2.gz MHKOGZSVNJPCAS-UHFFFAOYSA-N 2 1 238.379 1.142 20 30 BDEDMP C[NH+]=C(NCC[C@H]1CCC[N@@H+](C)C1)NC1CC1 ZINC000849041047 588448077 /nfs/dbraw/zinc/44/80/77/588448077.db2.gz IQKBMLYJYMDVKN-LLVKDONJSA-N 2 1 238.379 1.046 20 30 BDEDMP C#CCOCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000851813077 588632856 /nfs/dbraw/zinc/63/28/56/588632856.db2.gz PJYVUKYUJQJMJB-KGLIPLIRSA-N 2 1 236.359 1.052 20 30 BDEDMP C#CCOCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000851813077 588632857 /nfs/dbraw/zinc/63/28/57/588632857.db2.gz PJYVUKYUJQJMJB-KGLIPLIRSA-N 2 1 236.359 1.052 20 30 BDEDMP C#C[C@@H](CC)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000862362793 589201729 /nfs/dbraw/zinc/20/17/29/589201729.db2.gz GCIPOWHENWAWPM-NWDGAFQWSA-N 2 1 208.349 1.861 20 30 BDEDMP C#C[C@@H](CC)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000862362793 589201730 /nfs/dbraw/zinc/20/17/30/589201730.db2.gz GCIPOWHENWAWPM-NWDGAFQWSA-N 2 1 208.349 1.861 20 30 BDEDMP C=CC[C@@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000879001054 590673878 /nfs/dbraw/zinc/67/38/78/590673878.db2.gz OEMIARWSXBPHDK-KGLIPLIRSA-N 2 1 240.391 1.994 20 30 BDEDMP CC#CCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879583062 590821524 /nfs/dbraw/zinc/82/15/24/590821524.db2.gz VILXIYAAZYYLSK-STQMWFEESA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879583062 590821528 /nfs/dbraw/zinc/82/15/28/590821528.db2.gz VILXIYAAZYYLSK-STQMWFEESA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879583062 590821531 /nfs/dbraw/zinc/82/15/31/590821531.db2.gz VILXIYAAZYYLSK-STQMWFEESA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879583062 590821533 /nfs/dbraw/zinc/82/15/33/590821533.db2.gz VILXIYAAZYYLSK-STQMWFEESA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCSCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000129981441 591426528 /nfs/dbraw/zinc/42/65/28/591426528.db2.gz BNBNARCWVHBWFK-QWHCGFSZSA-N 2 1 238.400 1.569 20 30 BDEDMP C#CC[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000886365295 592217279 /nfs/dbraw/zinc/21/72/79/592217279.db2.gz FMPKPWMWTVYCGU-UONOGXRCSA-N 2 1 238.375 1.033 20 30 BDEDMP C#CC[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000886365295 592217281 /nfs/dbraw/zinc/21/72/81/592217281.db2.gz FMPKPWMWTVYCGU-UONOGXRCSA-N 2 1 238.375 1.033 20 30 BDEDMP C#CC[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000886365295 592217291 /nfs/dbraw/zinc/21/72/91/592217291.db2.gz FMPKPWMWTVYCGU-UONOGXRCSA-N 2 1 238.375 1.033 20 30 BDEDMP CCN(CC)C(=[NH2+])NCC[N@@H+](CC)C(C)C ZINC000104191562 592604680 /nfs/dbraw/zinc/60/46/80/592604680.db2.gz YNRCZLWNKRJHDH-UHFFFAOYSA-N 2 1 228.384 1.373 20 30 BDEDMP C#C[C@](C)(CC)[NH2+]CCCc1c[nH+]cn1C ZINC000313963481 634570456 /nfs/dbraw/zinc/57/04/56/634570456.db2.gz JBQNPIWOQWZWRR-CYBMUJFWSA-N 2 1 219.332 1.744 20 30 BDEDMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CC[C@H](C#N)C3)C[C@]2(C)C1 ZINC000933732529 631495043 /nfs/dbraw/zinc/49/50/43/631495043.db2.gz RAHZRJHKRYFSMI-CRWXNKLISA-N 2 1 233.359 1.562 20 30 BDEDMP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CC[C@H](C#N)C3)C[C@]2(C)C1 ZINC000933732529 631495050 /nfs/dbraw/zinc/49/50/50/631495050.db2.gz RAHZRJHKRYFSMI-CRWXNKLISA-N 2 1 233.359 1.562 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CC[C@H](C#N)C3)C[C@]2(C)C1 ZINC000933732529 631495057 /nfs/dbraw/zinc/49/50/57/631495057.db2.gz RAHZRJHKRYFSMI-CRWXNKLISA-N 2 1 233.359 1.562 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CC[C@H](C#N)C3)C[C@]2(C)C1 ZINC000933732529 631495060 /nfs/dbraw/zinc/49/50/60/631495060.db2.gz RAHZRJHKRYFSMI-CRWXNKLISA-N 2 1 233.359 1.562 20 30 BDEDMP CCCCCCCC[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000308834100 631675252 /nfs/dbraw/zinc/67/52/52/631675252.db2.gz HLYZEGCSWZEMGG-LBPRGKRZSA-N 2 1 216.369 1.598 20 30 BDEDMP CC(C)(CC#N)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925693954 634333648 /nfs/dbraw/zinc/33/36/48/634333648.db2.gz NRYHUYVVFBJYQP-JZRPKSSGSA-N 2 1 233.359 1.512 20 30 BDEDMP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 ZINC000303987738 636321534 /nfs/dbraw/zinc/32/15/34/636321534.db2.gz JLGXJUKTEZGXKP-MNOVXSKESA-N 2 1 226.368 1.031 20 30 BDEDMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@H]3CC[C@@H](C#N)C3)C[C@H]21 ZINC000931277581 640128814 /nfs/dbraw/zinc/12/88/14/640128814.db2.gz LZPXAOPOPPPHNW-FHUSYTEZSA-N 2 1 219.332 1.170 20 30 BDEDMP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@H]3CC[C@@H](C#N)C3)C[C@H]21 ZINC000931277581 640128820 /nfs/dbraw/zinc/12/88/20/640128820.db2.gz LZPXAOPOPPPHNW-FHUSYTEZSA-N 2 1 219.332 1.170 20 30 BDEDMP C=C(C)[C@H](CO)[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000931721604 640339352 /nfs/dbraw/zinc/33/93/52/640339352.db2.gz RRSNHHWVOPQJQW-XQQFMLRXSA-N 2 1 224.348 1.092 20 30 BDEDMP C=C(C)[C@H](CO)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000931721604 640339359 /nfs/dbraw/zinc/33/93/59/640339359.db2.gz RRSNHHWVOPQJQW-XQQFMLRXSA-N 2 1 224.348 1.092 20 30 BDEDMP C=C(C)[C@H](CO)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000931721604 640339367 /nfs/dbraw/zinc/33/93/67/640339367.db2.gz RRSNHHWVOPQJQW-XQQFMLRXSA-N 2 1 224.348 1.092 20 30 BDEDMP C=C(C)[C@@H](CO)[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000931721605 640341585 /nfs/dbraw/zinc/34/15/85/640341585.db2.gz RRSNHHWVOPQJQW-YNEHKIRRSA-N 2 1 224.348 1.092 20 30 BDEDMP C=C(C)[C@@H](CO)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000931721605 640341586 /nfs/dbraw/zinc/34/15/86/640341586.db2.gz RRSNHHWVOPQJQW-YNEHKIRRSA-N 2 1 224.348 1.092 20 30 BDEDMP C=C(C)[C@@H](CO)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000931721605 640341591 /nfs/dbraw/zinc/34/15/91/640341591.db2.gz RRSNHHWVOPQJQW-YNEHKIRRSA-N 2 1 224.348 1.092 20 30 BDEDMP C#CC[N@@H+](C[C@@H](O)CN(C)CC)C(C)(C)C ZINC000932462422 640531901 /nfs/dbraw/zinc/53/19/01/640531901.db2.gz YTRDLFKPEZBXTR-LBPRGKRZSA-N 2 1 226.364 1.033 20 30 BDEDMP C#CC[N@H+](C[C@@H](O)CN(C)CC)C(C)(C)C ZINC000932462422 640531910 /nfs/dbraw/zinc/53/19/10/640531910.db2.gz YTRDLFKPEZBXTR-LBPRGKRZSA-N 2 1 226.364 1.033 20 30 BDEDMP C#CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C(C)(C)C ZINC000932462422 640531915 /nfs/dbraw/zinc/53/19/15/640531915.db2.gz YTRDLFKPEZBXTR-LBPRGKRZSA-N 2 1 226.364 1.033 20 30 BDEDMP C#CC[NH+](C[C@@H](O)C[N@H+](C)CC)C(C)(C)C ZINC000932462422 640531919 /nfs/dbraw/zinc/53/19/19/640531919.db2.gz YTRDLFKPEZBXTR-LBPRGKRZSA-N 2 1 226.364 1.033 20 30 BDEDMP C#CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C(C)(C)C ZINC000932462422 640531925 /nfs/dbraw/zinc/53/19/25/640531925.db2.gz YTRDLFKPEZBXTR-LBPRGKRZSA-N 2 1 226.364 1.033 20 30 BDEDMP C#CC[N@H+](C[C@@H](O)C[NH+](C)CC)C(C)(C)C ZINC000932462422 640531930 /nfs/dbraw/zinc/53/19/30/640531930.db2.gz YTRDLFKPEZBXTR-LBPRGKRZSA-N 2 1 226.364 1.033 20 30 BDEDMP C#C[C@H](CC)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000229547430 640966527 /nfs/dbraw/zinc/96/65/27/640966527.db2.gz UCIWJQDOYKMUTE-FRRDWIJNSA-N 2 1 206.333 1.615 20 30 BDEDMP C=CCCC[N@H+](CC)C[C@H](O)CN(C)CC ZINC000934644583 641227931 /nfs/dbraw/zinc/22/79/31/641227931.db2.gz FYAYRTDVWBJFFF-CYBMUJFWSA-N 2 1 228.380 1.587 20 30 BDEDMP C=CCCC[NH+](CC)C[C@H](O)C[N@@H+](C)CC ZINC000934644583 641227935 /nfs/dbraw/zinc/22/79/35/641227935.db2.gz FYAYRTDVWBJFFF-CYBMUJFWSA-N 2 1 228.380 1.587 20 30 BDEDMP C=CCCC[NH+](CC)C[C@H](O)C[N@H+](C)CC ZINC000934644583 641227938 /nfs/dbraw/zinc/22/79/38/641227938.db2.gz FYAYRTDVWBJFFF-CYBMUJFWSA-N 2 1 228.380 1.587 20 30 BDEDMP C=CCCC[N@@H+](CC)C[C@H](O)C[NH+](C)CC ZINC000934644583 641227942 /nfs/dbraw/zinc/22/79/42/641227942.db2.gz FYAYRTDVWBJFFF-CYBMUJFWSA-N 2 1 228.380 1.587 20 30 BDEDMP C=CCCC[N@H+](CC)C[C@H](O)C[NH+](C)CC ZINC000934644583 641227949 /nfs/dbraw/zinc/22/79/49/641227949.db2.gz FYAYRTDVWBJFFF-CYBMUJFWSA-N 2 1 228.380 1.587 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000923281020 644314646 /nfs/dbraw/zinc/31/46/46/644314646.db2.gz NJALNGHNTUEICO-VXGBXAGGSA-N 2 1 212.337 1.127 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000923281020 644314652 /nfs/dbraw/zinc/31/46/52/644314652.db2.gz NJALNGHNTUEICO-VXGBXAGGSA-N 2 1 212.337 1.127 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000923337000 644357530 /nfs/dbraw/zinc/35/75/30/644357530.db2.gz WGPBVRCGXPMAAM-ZIAGYGMSSA-N 2 1 240.391 1.778 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000923383594 644396747 /nfs/dbraw/zinc/39/67/47/644396747.db2.gz UMKUGIQANBENNY-XUXIUFHCSA-N 2 1 240.391 1.619 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000923391381 644397138 /nfs/dbraw/zinc/39/71/38/644397138.db2.gz DXYBERNFLHZVRR-TUAOUCFPSA-N 2 1 212.337 1.125 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000923423262 644420543 /nfs/dbraw/zinc/42/05/43/644420543.db2.gz KOCQJQXNGXVZDM-RFGFWPKPSA-N 2 1 240.391 1.761 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000923423262 644420546 /nfs/dbraw/zinc/42/05/46/644420546.db2.gz KOCQJQXNGXVZDM-RFGFWPKPSA-N 2 1 240.391 1.761 20 30 BDEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])N[C@H](C)CC)C1 ZINC000303267154 644813653 /nfs/dbraw/zinc/81/36/53/644813653.db2.gz WVRKBOAISNQEGX-VXGBXAGGSA-N 2 1 240.395 1.421 20 30 BDEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])N[C@H](C)CC)C1 ZINC000303267149 644814112 /nfs/dbraw/zinc/81/41/12/644814112.db2.gz WVRKBOAISNQEGX-NEPJUHHUSA-N 2 1 240.395 1.421 20 30 BDEDMP CCNC(NC[C@H](C)[N@@H+](C)C1CC1)=[NH+]CC ZINC000303410188 644822428 /nfs/dbraw/zinc/82/24/28/644822428.db2.gz WAEOUXRAVTYGGR-JTQLQIEISA-N 2 1 226.368 1.044 20 30 BDEDMP CCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303724659 644842528 /nfs/dbraw/zinc/84/25/28/644842528.db2.gz ZVRNVOSDLHXTAK-NSHDSACASA-N 2 1 226.368 1.175 20 30 BDEDMP C[C@@H](CNC(=[NH2+])NCC1CCC1)[N@@H+](C)C1CC1 ZINC000303968353 644861163 /nfs/dbraw/zinc/86/11/63/644861163.db2.gz APPMLDUBSCZNKB-JTQLQIEISA-N 2 1 238.379 1.174 20 30 BDEDMP C#CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000132809975 645854632 /nfs/dbraw/zinc/85/46/32/645854632.db2.gz GFTRDRBGJVCYPW-UHFFFAOYSA-N 2 1 220.360 1.960 20 30 BDEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925656880 646394633 /nfs/dbraw/zinc/39/46/33/646394633.db2.gz QLZQJKICWHCYHW-MQYQWHSLSA-N 2 1 238.375 1.698 20 30 BDEDMP C#CC[C@H](COC)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000716934206 712597370 /nfs/dbraw/zinc/59/73/70/712597370.db2.gz JGJJBBANOQQOQD-JHJVBQTASA-N 2 1 224.348 1.097 20 30 BDEDMP C#CC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000716934206 712597371 /nfs/dbraw/zinc/59/73/71/712597371.db2.gz JGJJBBANOQQOQD-JHJVBQTASA-N 2 1 224.348 1.097 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](C)CCC ZINC000382004871 710765622 /nfs/dbraw/zinc/76/56/22/710765622.db2.gz KSPOANITPQOWKC-CYBMUJFWSA-N 2 1 210.365 1.967 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](C)CCC ZINC000382004871 710765625 /nfs/dbraw/zinc/76/56/25/710765625.db2.gz KSPOANITPQOWKC-CYBMUJFWSA-N 2 1 210.365 1.967 20 30 BDEDMP C#CC[N@H+](C)CCCNCc1cccc(O)c1 ZINC000392765684 711151186 /nfs/dbraw/zinc/15/11/86/711151186.db2.gz OFCZMUDDHWEQRY-UHFFFAOYSA-N 2 1 232.327 1.437 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]CC1(SC)CC1 ZINC000393969690 711180314 /nfs/dbraw/zinc/18/03/14/711180314.db2.gz OYKMNMLQVGUZDZ-UHFFFAOYSA-N 2 1 226.389 1.427 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]CC1(SC)CC1 ZINC000393969690 711180316 /nfs/dbraw/zinc/18/03/16/711180316.db2.gz OYKMNMLQVGUZDZ-UHFFFAOYSA-N 2 1 226.389 1.427 20 30 BDEDMP C=CC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579931 711770471 /nfs/dbraw/zinc/77/04/71/711770471.db2.gz QKFCMAPLHAPNLY-YNEHKIRRSA-N 2 1 208.349 1.977 20 30 BDEDMP C=CC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579931 711770472 /nfs/dbraw/zinc/77/04/72/711770472.db2.gz QKFCMAPLHAPNLY-YNEHKIRRSA-N 2 1 208.349 1.977 20 30 BDEDMP C=CC[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579931 711770473 /nfs/dbraw/zinc/77/04/73/711770473.db2.gz QKFCMAPLHAPNLY-YNEHKIRRSA-N 2 1 208.349 1.977 20 30 BDEDMP C=CC[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579931 711770474 /nfs/dbraw/zinc/77/04/74/711770474.db2.gz QKFCMAPLHAPNLY-YNEHKIRRSA-N 2 1 208.349 1.977 20 30 BDEDMP C=CC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579930 711770583 /nfs/dbraw/zinc/77/05/83/711770583.db2.gz QKFCMAPLHAPNLY-XQQFMLRXSA-N 2 1 208.349 1.977 20 30 BDEDMP C=CC[C@H](C)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579930 711770586 /nfs/dbraw/zinc/77/05/86/711770586.db2.gz QKFCMAPLHAPNLY-XQQFMLRXSA-N 2 1 208.349 1.977 20 30 BDEDMP C=CC[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579930 711770587 /nfs/dbraw/zinc/77/05/87/711770587.db2.gz QKFCMAPLHAPNLY-XQQFMLRXSA-N 2 1 208.349 1.977 20 30 BDEDMP C=CC[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579930 711770588 /nfs/dbraw/zinc/77/05/88/711770588.db2.gz QKFCMAPLHAPNLY-XQQFMLRXSA-N 2 1 208.349 1.977 20 30 BDEDMP CCNC(NC[C@@H]1CCC[N@H+]1CC)=[NH+]CC ZINC000066244972 711779723 /nfs/dbraw/zinc/77/97/23/711779723.db2.gz WGBZLBBUHSJXBK-NSHDSACASA-N 2 1 226.368 1.046 20 30 BDEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069724339 711893258 /nfs/dbraw/zinc/89/32/58/711893258.db2.gz MFKAXTLPOJXIIQ-JTQLQIEISA-N 2 1 202.729 1.800 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000705951545 712138264 /nfs/dbraw/zinc/13/82/64/712138264.db2.gz DJQAYNUXPCGKSH-UONOGXRCSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000705951545 712138266 /nfs/dbraw/zinc/13/82/66/712138266.db2.gz DJQAYNUXPCGKSH-UONOGXRCSA-N 2 1 238.375 1.489 20 30 BDEDMP C#C[C@@](C)(CC)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000692596174 960332907 /nfs/dbraw/zinc/33/29/07/960332907.db2.gz VSUMNCXXYBLROW-OLZOCXBDSA-N 2 1 208.349 1.862 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001252589795 983840265 /nfs/dbraw/zinc/84/02/65/983840265.db2.gz QYPXPGXGMGBUMG-ZDUSSCGKSA-N 2 1 226.364 1.340 20 30 BDEDMP C=CCC[C@H](O)C[N@H+](C)C1CC[NH+](C)CC1 ZINC001252589795 983840267 /nfs/dbraw/zinc/84/02/67/983840267.db2.gz QYPXPGXGMGBUMG-ZDUSSCGKSA-N 2 1 226.364 1.340 20 30 BDEDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC001256963887 971039032 /nfs/dbraw/zinc/03/90/32/971039032.db2.gz RRYJQVJDLMEDSD-GFJIZPEISA-N 2 1 235.375 1.999 20 30 BDEDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC001256963887 971039044 /nfs/dbraw/zinc/03/90/44/971039044.db2.gz RRYJQVJDLMEDSD-GFJIZPEISA-N 2 1 235.375 1.999 20 30 BDEDMP C=C[C@](C)(O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246026645 972120950 /nfs/dbraw/zinc/12/09/50/972120950.db2.gz WPGCNMQCZGZYBP-AGIUHOORSA-N 2 1 226.364 1.230 20 30 BDEDMP C[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)CC[NH2+]1 ZINC001246285569 972257805 /nfs/dbraw/zinc/25/78/05/972257805.db2.gz GVRHEMWNNVKUQA-DZGCQCFKSA-N 2 1 228.339 1.768 20 30 BDEDMP C[C@@H]1C[C@H]([NH2+]CC#Cc2ccccc2)CC[NH2+]1 ZINC001246285572 972259050 /nfs/dbraw/zinc/25/90/50/972259050.db2.gz GVRHEMWNNVKUQA-UKRRQHHQSA-N 2 1 228.339 1.768 20 30 BDEDMP N#Cc1ccc(CC[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235976915 966190723 /nfs/dbraw/zinc/19/07/23/966190723.db2.gz DJSZOTXJXRZISD-LSDHHAIUSA-N 2 1 241.338 1.524 20 30 BDEDMP N#Cc1ccc(CC[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235976915 966190734 /nfs/dbraw/zinc/19/07/34/966190734.db2.gz DJSZOTXJXRZISD-LSDHHAIUSA-N 2 1 241.338 1.524 20 30 BDEDMP Cn1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1C#N ZINC001205263874 967454921 /nfs/dbraw/zinc/45/49/21/967454921.db2.gz DOGIASGFRSGBID-AWEZNQCLSA-N 2 1 246.358 1.600 20 30 BDEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206156988 968091939 /nfs/dbraw/zinc/09/19/39/968091939.db2.gz VGAICSNCZPXTQK-UONOGXRCSA-N 2 1 247.317 1.819 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206156988 968091954 /nfs/dbraw/zinc/09/19/54/968091954.db2.gz VGAICSNCZPXTQK-UONOGXRCSA-N 2 1 247.317 1.819 20 30 BDEDMP C#Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206183075 968115215 /nfs/dbraw/zinc/11/52/15/968115215.db2.gz FIEBSHJYRKDVTH-CABCVRRESA-N 2 1 246.329 1.929 20 30 BDEDMP C=CCC[C@H](O)C[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC001252616935 968874805 /nfs/dbraw/zinc/87/48/05/968874805.db2.gz WERYYSXHPCGGAL-OLZOCXBDSA-N 2 1 226.364 1.387 20 30 BDEDMP C=CCC[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001252617541 968876773 /nfs/dbraw/zinc/87/67/73/968876773.db2.gz FDZKFKXFJKRTAD-CQSZACIVSA-N 2 1 238.375 1.530 20 30 BDEDMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](C#N)C2)CC1 ZINC001208597759 969151656 /nfs/dbraw/zinc/15/16/56/969151656.db2.gz NHYWNPWHALQUMS-CQSZACIVSA-N 2 1 235.375 1.954 20 30 BDEDMP C=CCCC[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001209162555 969361153 /nfs/dbraw/zinc/36/11/53/969361153.db2.gz IQWZEYIAHJBRJX-UHFFFAOYSA-N 2 1 225.380 1.132 20 30 BDEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CC(C#N)C1)C2 ZINC001169119342 969414204 /nfs/dbraw/zinc/41/42/04/969414204.db2.gz RPEYRFGGJFGUPX-SSYPOUIUSA-N 2 1 219.332 1.503 20 30 BDEDMP C#CCCC[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001209269478 969415851 /nfs/dbraw/zinc/41/58/51/969415851.db2.gz LTGDFOKEFMJASX-UHFFFAOYSA-N 2 1 220.360 1.958 20 30 BDEDMP C#CCCC[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001209269478 969415858 /nfs/dbraw/zinc/41/58/58/969415858.db2.gz LTGDFOKEFMJASX-UHFFFAOYSA-N 2 1 220.360 1.958 20 30 BDEDMP C[N@H+]1CCC[C@H]([NH2+]C2CC(C#N)C2)CC1 ZINC001254513088 969677961 /nfs/dbraw/zinc/67/79/61/969677961.db2.gz WUZWJJNBBUFCCN-CXQJBGSLSA-N 2 1 207.321 1.362 20 30 BDEDMP CCC[N@@H+](CCC[NH3+])[C@@H]1CC[C@H](C#N)C1 ZINC001254636382 969752628 /nfs/dbraw/zinc/75/26/28/969752628.db2.gz KSNJZDVHMURSPB-NWDGAFQWSA-N 2 1 209.337 1.739 20 30 BDEDMP CC[C@@H](CC#N)n1c(C)c[nH+]c1CC[NH3+] ZINC001255152834 969950265 /nfs/dbraw/zinc/95/02/65/969950265.db2.gz DUKQOGPBBPGIBE-JTQLQIEISA-N 2 1 206.293 1.558 20 30 BDEDMP C#CC1([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255667808 970447262 /nfs/dbraw/zinc/44/72/62/970447262.db2.gz AHDCPFXDMXLWNF-YHWZYXNKSA-N 2 1 218.344 1.757 20 30 BDEDMP C[NH+]1CCC([NH2+][C@H]2CC[C@H](C#N)CC2)CC1 ZINC001256195418 970691973 /nfs/dbraw/zinc/69/19/73/970691973.db2.gz TVMAFKUGQHILDU-HAQNSBGRSA-N 2 1 221.348 1.753 20 30 BDEDMP CC[C@H](CC#N)[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246567410 972818006 /nfs/dbraw/zinc/81/80/06/972818006.db2.gz KSOBIPLQEVTRNU-RWMBFGLXSA-N 2 1 223.364 1.985 20 30 BDEDMP C=CCOC1CCC([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246865367 973209560 /nfs/dbraw/zinc/20/95/60/973209560.db2.gz BNSOGRDWEPLFMV-ABXWRUBCSA-N 2 1 236.359 1.533 20 30 BDEDMP C=CCOC1CCC([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246865367 973209579 /nfs/dbraw/zinc/20/95/79/973209579.db2.gz BNSOGRDWEPLFMV-ABXWRUBCSA-N 2 1 236.359 1.533 20 30 BDEDMP N#CCC1CCC([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246867302 973235084 /nfs/dbraw/zinc/23/50/84/973235084.db2.gz HYBUBXVQMJKLPM-MVKMKZAISA-N 2 1 219.332 1.492 20 30 BDEDMP N#CCC1CCC([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246867302 973235105 /nfs/dbraw/zinc/23/51/05/973235105.db2.gz HYBUBXVQMJKLPM-MVKMKZAISA-N 2 1 219.332 1.492 20 30 BDEDMP C#C[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112083 974374477 /nfs/dbraw/zinc/37/44/77/974374477.db2.gz STXGJKCCSNUGDK-LPWJVIDDSA-N 2 1 206.333 1.613 20 30 BDEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1(C[NH3+])CC1 ZINC001172306565 974518276 /nfs/dbraw/zinc/51/82/76/974518276.db2.gz ZTPVVVFFCKUARC-NSHDSACASA-N 2 1 229.327 1.570 20 30 BDEDMP C=CCOC1CCC([N@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC001173313233 975225543 /nfs/dbraw/zinc/22/55/43/975225543.db2.gz SBGUKPBSXVUPDF-HSBZDZAISA-N 2 1 238.375 1.923 20 30 BDEDMP C=CCNCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205604014 981175316 /nfs/dbraw/zinc/17/53/16/981175316.db2.gz UDQBGPRCMQRYJB-OLZOCXBDSA-N 2 1 225.380 1.069 20 30 BDEDMP C=CCNCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205604014 981175323 /nfs/dbraw/zinc/17/53/23/981175323.db2.gz UDQBGPRCMQRYJB-OLZOCXBDSA-N 2 1 225.380 1.069 20 30 BDEDMP C=C[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001252585932 983835487 /nfs/dbraw/zinc/83/54/87/983835487.db2.gz VZJRXQQLAKFKGV-RDBSUJKOSA-N 2 1 240.391 1.632 20 30 BDEDMP C=C[C@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001253567404 984240229 /nfs/dbraw/zinc/24/02/29/984240229.db2.gz NQJCASSLVOMCQZ-AWEZNQCLSA-N 2 1 238.375 1.484 20 30 BDEDMP CC[NH2+]C1CC[NH+]([C@H](C)CCC#N)CC1 ZINC001577818208 984803259 /nfs/dbraw/zinc/80/32/59/984803259.db2.gz CDGFHSLVSWQLEC-LLVKDONJSA-N 2 1 209.337 1.753 20 30 BDEDMP C#CCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000686675498 985196967 /nfs/dbraw/zinc/19/69/67/985196967.db2.gz VDEOSHKKLYTTOM-BETUJISGSA-N 2 1 206.333 1.331 20 30 BDEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001462671775 986500426 /nfs/dbraw/zinc/50/04/26/986500426.db2.gz SFOOHNDEIIZNBV-XJFOESAGSA-N 2 1 235.375 1.856 20 30 BDEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)c(F)c1 ZINC001580065690 986509591 /nfs/dbraw/zinc/50/95/91/986509591.db2.gz OKJQKHPQKLVSFV-PHIMTYICSA-N 2 1 219.263 1.277 20 30 BDEDMP C[N@@H+]1CCC[C@H]([NH+]2CC(CC#N)C2)CC1 ZINC001254515781 986663401 /nfs/dbraw/zinc/66/34/01/986663401.db2.gz CTPUFBSGQOPPTG-LBPRGKRZSA-N 2 1 207.321 1.316 20 30 BDEDMP C[N@H+]1CCC[C@H]([NH+]2CC(CC#N)C2)CC1 ZINC001254515781 986663413 /nfs/dbraw/zinc/66/34/13/986663413.db2.gz CTPUFBSGQOPPTG-LBPRGKRZSA-N 2 1 207.321 1.316 20 30 BDEDMP C=C[C@@](C)(O)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246017904 987299754 /nfs/dbraw/zinc/29/97/54/987299754.db2.gz CQMDQMVGABJSCJ-VXGBXAGGSA-N 2 1 212.337 1.127 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246017609 987303826 /nfs/dbraw/zinc/30/38/26/987303826.db2.gz RYCSTMLHJVFSRQ-VXGBXAGGSA-N 2 1 212.337 1.127 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246024050 987318811 /nfs/dbraw/zinc/31/88/11/987318811.db2.gz PVUCJKALMBJMCW-AGIUHOORSA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246024050 987318820 /nfs/dbraw/zinc/31/88/20/987318820.db2.gz PVUCJKALMBJMCW-AGIUHOORSA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246035180 987335048 /nfs/dbraw/zinc/33/50/48/987335048.db2.gz YQYBLXRNLJQANB-SDDRHHMPSA-N 2 1 230.327 1.075 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246032850 987337164 /nfs/dbraw/zinc/33/71/64/987337164.db2.gz UKDAXYFVAWKICB-IHRRRGAJSA-N 2 1 240.391 1.620 20 30 BDEDMP C[C@@H](CCCC#N)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246117866 987464402 /nfs/dbraw/zinc/46/44/02/987464402.db2.gz MJQXTCOVBOAVMY-GRYCIOLGSA-N 2 1 209.337 1.656 20 30 BDEDMP C[C@@H](CCCC#N)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246133387 987484102 /nfs/dbraw/zinc/48/41/02/987484102.db2.gz NPDFOQKFICKCFH-QWRGUYRKSA-N 2 1 207.321 1.410 20 30 BDEDMP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246205356 987604671 /nfs/dbraw/zinc/60/46/71/987604671.db2.gz MWGMNINHFZATOB-GRYCIOLGSA-N 2 1 207.321 1.410 20 30 BDEDMP C(#Cc1ccccc1)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246286310 987678993 /nfs/dbraw/zinc/67/89/93/987678993.db2.gz KUGWYXHJHUSNHG-XYPWUTKMSA-N 2 1 240.350 1.911 20 30 BDEDMP CC(C)(C)C#CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246322582 987729177 /nfs/dbraw/zinc/72/91/77/987729177.db2.gz CWJIMHBTQCEZKA-FUNVUKJBSA-N 2 1 220.360 1.909 20 30 BDEDMP C=CCOC1CCC([N@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC001246527030 987881552 /nfs/dbraw/zinc/88/15/52/987881552.db2.gz DCAQMHJBZMDQES-JXQTWKCFSA-N 2 1 238.375 1.923 20 30 BDEDMP C[C@H](CCCC#N)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246540359 987905055 /nfs/dbraw/zinc/90/50/55/987905055.db2.gz DNLPUGCYCHMQNG-CHWSQXEVSA-N 2 1 239.363 1.244 20 30 BDEDMP N#CC1CCC([N@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246548125 987936499 /nfs/dbraw/zinc/93/64/99/987936499.db2.gz RALMOEUKGJHFFO-OTTFEQOBSA-N 2 1 221.348 1.882 20 30 BDEDMP CC1(C#N)CCC([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246637000 988329673 /nfs/dbraw/zinc/32/96/73/988329673.db2.gz IIRMIVIOHBUPJZ-CEUNDQEZSA-N 2 1 233.359 1.895 20 30 BDEDMP C[C@@H]1C[C@@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC[NH2+]1 ZINC001246835933 988531748 /nfs/dbraw/zinc/53/17/48/988531748.db2.gz VXPHVZVIIXKDCZ-POQQGIQPSA-N 2 1 233.359 1.893 20 30 BDEDMP N#CCC1CCC([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246856400 988578497 /nfs/dbraw/zinc/57/84/97/988578497.db2.gz XAKOJOUFZONXRG-FKZOYECMSA-N 2 1 233.359 1.882 20 30 BDEDMP C=CCCCC[N@H+](C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246868610 988625515 /nfs/dbraw/zinc/62/55/15/988625515.db2.gz BJKPXNPRYLNGQW-ZDUSSCGKSA-N 2 1 237.391 1.369 20 30 BDEDMP C#CC1CC[NH+]([C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246883936 988651465 /nfs/dbraw/zinc/65/14/65/988651465.db2.gz YQXKHHIZYPOZEL-WCQYABFASA-N 2 1 206.333 1.472 20 30 BDEDMP N#C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246932064 988764424 /nfs/dbraw/zinc/76/44/24/988764424.db2.gz PEGYSYFXMIJCIZ-FQUUOJAGSA-N 2 1 233.359 1.610 20 30 BDEDMP C=CC[NH+]1CCC(Nc2cc(N)[nH+]cn2)CC1 ZINC001120856062 989923903 /nfs/dbraw/zinc/92/39/03/989923903.db2.gz XKVVPHNGOWLWHE-UHFFFAOYSA-N 2 1 233.319 1.121 20 30 BDEDMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC(C#N)CC3)[C@H]2C1 ZINC001561052653 991704986 /nfs/dbraw/zinc/70/49/86/991704986.db2.gz HLXRLVNBGSIEDB-HAGFKGRBSA-N 2 1 247.386 1.999 20 30 BDEDMP C=CCO[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001261482106 992332572 /nfs/dbraw/zinc/33/25/72/992332572.db2.gz ATITXBWTXGWEES-ZDUSSCGKSA-N 2 1 224.348 1.263 20 30 BDEDMP C#CCCCCCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001574545575 992876941 /nfs/dbraw/zinc/87/69/41/992876941.db2.gz SBQMUUUFLNCDNL-CYBMUJFWSA-N 2 1 208.349 1.912 20 30 BDEDMP CC(C)[C@H](C[NH3+])C[NH2+]CC1(C#N)CCOCC1 ZINC001575422760 993041769 /nfs/dbraw/zinc/04/17/69/993041769.db2.gz LWLNCDVUAXNHCT-GFCCVEGCSA-N 2 1 239.363 1.127 20 30 BDEDMP C=C(C)[C@H](CO)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000649339466 398156685 /nfs/dbraw/zinc/15/66/85/398156685.db2.gz XGRNNGUWMAEIEN-STQMWFEESA-N 2 1 226.364 1.197 20 30 BDEDMP C=C(C)[C@H](CO)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000649339466 398156688 /nfs/dbraw/zinc/15/66/88/398156688.db2.gz XGRNNGUWMAEIEN-STQMWFEESA-N 2 1 226.364 1.197 20 30 BDEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000649339466 398156692 /nfs/dbraw/zinc/15/66/92/398156692.db2.gz XGRNNGUWMAEIEN-STQMWFEESA-N 2 1 226.364 1.197 20 30 BDEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000649339466 398156696 /nfs/dbraw/zinc/15/66/96/398156696.db2.gz XGRNNGUWMAEIEN-STQMWFEESA-N 2 1 226.364 1.197 20 30 BDEDMP C=CCSCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422943857 398160291 /nfs/dbraw/zinc/16/02/91/398160291.db2.gz LCBBIRRXORMNCC-QWRGUYRKSA-N 2 1 214.378 1.493 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000378781837 346833476 /nfs/dbraw/zinc/83/34/76/346833476.db2.gz HUZXWQVDOHTGES-UONOGXRCSA-N 2 1 222.376 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000378781837 346833478 /nfs/dbraw/zinc/83/34/78/346833478.db2.gz HUZXWQVDOHTGES-UONOGXRCSA-N 2 1 222.376 1.966 20 30 BDEDMP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000602546494 349589649 /nfs/dbraw/zinc/58/96/49/349589649.db2.gz DJCZJVJYAYGOQT-OLZOCXBDSA-N 2 1 223.364 1.858 20 30 BDEDMP C[C@H](CCC#N)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000602670617 349665922 /nfs/dbraw/zinc/66/59/22/349665922.db2.gz AFESIRMOVIFWDN-ZIAGYGMSSA-N 2 1 235.375 1.954 20 30 BDEDMP C[C@H](CCC#N)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000602670617 349665923 /nfs/dbraw/zinc/66/59/23/349665923.db2.gz AFESIRMOVIFWDN-ZIAGYGMSSA-N 2 1 235.375 1.954 20 30 BDEDMP C[C@H](CCC#N)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000602670617 349665924 /nfs/dbraw/zinc/66/59/24/349665924.db2.gz AFESIRMOVIFWDN-ZIAGYGMSSA-N 2 1 235.375 1.954 20 30 BDEDMP C[NH+](C)C[C@@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602789374 349752279 /nfs/dbraw/zinc/75/22/79/349752279.db2.gz ZUSRETKOOFTUAB-LBPRGKRZSA-N 2 1 221.348 1.564 20 30 BDEDMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602789374 349752281 /nfs/dbraw/zinc/75/22/81/349752281.db2.gz ZUSRETKOOFTUAB-LBPRGKRZSA-N 2 1 221.348 1.564 20 30 BDEDMP N#Cc1cccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000034566754 136302044 /nfs/dbraw/zinc/30/20/44/136302044.db2.gz FUJRFKWLRTXOMB-CQSZACIVSA-N 2 1 229.327 1.729 20 30 BDEDMP N#Cc1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000135150955 343943476 /nfs/dbraw/zinc/94/34/76/343943476.db2.gz XWGSUGGUISYYJE-NWDGAFQWSA-N 2 1 245.326 1.868 20 30 BDEDMP C=CCC[C@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000641760887 362684087 /nfs/dbraw/zinc/68/40/87/362684087.db2.gz ZDMOUXAUMVNXDF-CYBMUJFWSA-N 2 1 249.358 1.564 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000309818096 347175112 /nfs/dbraw/zinc/17/51/12/347175112.db2.gz VSMRCPBWBJDGQT-RWMBFGLXSA-N 2 1 226.364 1.243 20 30 BDEDMP C[C@@H]([NH3+])C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000591581573 347678660 /nfs/dbraw/zinc/67/86/60/347678660.db2.gz ZVGCNWTVKFPRLP-RNCFNFMXSA-N 2 1 215.300 1.482 20 30 BDEDMP C[NH+]1CCC2(CC1)C[N@H+](CCCC#N)CCO2 ZINC000592182699 347759883 /nfs/dbraw/zinc/75/98/83/347759883.db2.gz PJSMGQJGDKOZRO-UHFFFAOYSA-N 2 1 237.347 1.087 20 30 BDEDMP C[NH+]1CCC2(CC1)C[N@@H+](CCCC#N)CCO2 ZINC000592182699 347759889 /nfs/dbraw/zinc/75/98/89/347759889.db2.gz PJSMGQJGDKOZRO-UHFFFAOYSA-N 2 1 237.347 1.087 20 30 BDEDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595889664 348389917 /nfs/dbraw/zinc/38/99/17/348389917.db2.gz UYPRFAOHXLCOSN-SWLSCSKDSA-N 2 1 243.354 1.770 20 30 BDEDMP CC#CCN(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000336646692 350415841 /nfs/dbraw/zinc/41/58/41/350415841.db2.gz LCWLUPFKLVYQKP-QWHCGFSZSA-N 2 1 208.349 1.814 20 30 BDEDMP CC#CC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000336646692 350415844 /nfs/dbraw/zinc/41/58/44/350415844.db2.gz LCWLUPFKLVYQKP-QWHCGFSZSA-N 2 1 208.349 1.814 20 30 BDEDMP CC#CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000336646692 350415847 /nfs/dbraw/zinc/41/58/47/350415847.db2.gz LCWLUPFKLVYQKP-QWHCGFSZSA-N 2 1 208.349 1.814 20 30 BDEDMP CC#CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336707750 351078035 /nfs/dbraw/zinc/07/80/35/351078035.db2.gz RVQKOXFDEHHSRZ-UHFFFAOYSA-N 2 1 206.333 1.616 20 30 BDEDMP C=CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000334541163 353975510 /nfs/dbraw/zinc/97/55/10/353975510.db2.gz SVHSRCNZYQJNJW-STQMWFEESA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000334541163 353975512 /nfs/dbraw/zinc/97/55/12/353975512.db2.gz SVHSRCNZYQJNJW-STQMWFEESA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000334541163 353975513 /nfs/dbraw/zinc/97/55/13/353975513.db2.gz SVHSRCNZYQJNJW-STQMWFEESA-N 2 1 208.349 1.979 20 30 BDEDMP CC#CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366877217 354347271 /nfs/dbraw/zinc/34/72/71/354347271.db2.gz AHLTWPFRUHJZOE-UHFFFAOYSA-N 2 1 220.360 1.818 20 30 BDEDMP C[N@H+]1CC[C@H]2CCN(CCCC#N)[C@@H]2C1 ZINC000361107543 134203564 /nfs/dbraw/zinc/20/35/64/134203564.db2.gz QAXBLXHQDSLMTH-NWDGAFQWSA-N 2 1 207.321 1.316 20 30 BDEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134939259 358811668 /nfs/dbraw/zinc/81/16/68/358811668.db2.gz WKZCYZHVMFIRCF-UKRRQHHQSA-N 2 1 232.371 1.958 20 30 BDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134939259 358811672 /nfs/dbraw/zinc/81/16/72/358811672.db2.gz WKZCYZHVMFIRCF-UKRRQHHQSA-N 2 1 232.371 1.958 20 30 BDEDMP CC#CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134939259 358811674 /nfs/dbraw/zinc/81/16/74/358811674.db2.gz WKZCYZHVMFIRCF-UKRRQHHQSA-N 2 1 232.371 1.958 20 30 BDEDMP CC#CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134939259 358811679 /nfs/dbraw/zinc/81/16/79/358811679.db2.gz WKZCYZHVMFIRCF-UKRRQHHQSA-N 2 1 232.371 1.958 20 30 BDEDMP C#CC[N@@H+](C)CCCNc1cc[nH+]c(C)c1 ZINC000292826497 359299088 /nfs/dbraw/zinc/29/90/88/359299088.db2.gz PIRGWAJNGHOUIJ-UHFFFAOYSA-N 2 1 217.316 1.757 20 30 BDEDMP C=CC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180939562 366560788 /nfs/dbraw/zinc/56/07/88/366560788.db2.gz MYOLNWNUCXIFPK-UHFFFAOYSA-N 2 1 225.380 1.130 20 30 BDEDMP C=CCCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629595114 361482220 /nfs/dbraw/zinc/48/22/20/361482220.db2.gz NOICMYVIZFVFJT-BETUJISGSA-N 2 1 208.349 1.884 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000382318154 367507169 /nfs/dbraw/zinc/50/71/69/367507169.db2.gz SGZZPBHGMFTONW-CHWSQXEVSA-N 2 1 222.376 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000382318154 367507173 /nfs/dbraw/zinc/50/71/73/367507173.db2.gz SGZZPBHGMFTONW-CHWSQXEVSA-N 2 1 222.376 1.966 20 30 BDEDMP N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000600769280 369562562 /nfs/dbraw/zinc/56/25/62/369562562.db2.gz LDDZETLWCDWEBD-ZJUUUORDSA-N 2 1 219.288 1.511 20 30 BDEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000252889748 370138401 /nfs/dbraw/zinc/13/84/01/370138401.db2.gz FJPSUPASGBRIHC-IUODEOHRSA-N 2 1 243.354 1.988 20 30 BDEDMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000040592060 373543830 /nfs/dbraw/zinc/54/38/30/373543830.db2.gz FMYWKYULOZGIKT-OAHLLOKOSA-N 2 1 243.354 1.990 20 30 BDEDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000040592060 373543836 /nfs/dbraw/zinc/54/38/36/373543836.db2.gz FMYWKYULOZGIKT-OAHLLOKOSA-N 2 1 243.354 1.990 20 30 BDEDMP C#CCC[N@H+](C)[C@H]1CCC[NH+](CCC#C)CC1 ZINC000362455433 533044642 /nfs/dbraw/zinc/04/46/42/533044642.db2.gz PSVIPUMJOXLPPR-HNNXBMFYSA-N 2 1 232.371 1.819 20 30 BDEDMP C#CCC[NH+](C)[C@H]1CCC[N@H+](CCC#C)CC1 ZINC000362455433 533044647 /nfs/dbraw/zinc/04/46/47/533044647.db2.gz PSVIPUMJOXLPPR-HNNXBMFYSA-N 2 1 232.371 1.819 20 30 BDEDMP C#CCC[NH+](C)[C@H]1CCC[N@@H+](CCC#C)CC1 ZINC000362455433 533044650 /nfs/dbraw/zinc/04/46/50/533044650.db2.gz PSVIPUMJOXLPPR-HNNXBMFYSA-N 2 1 232.371 1.819 20 30 BDEDMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(C#N)cc1 ZINC000235094923 384191864 /nfs/dbraw/zinc/19/18/64/384191864.db2.gz HCUXCGXEOZYIJL-VHSXEESVSA-N 2 1 203.289 1.556 20 30 BDEDMP N#Cc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422987154 384491043 /nfs/dbraw/zinc/49/10/43/384491043.db2.gz FMJABCDIVUMKGV-UONOGXRCSA-N 2 1 245.326 1.406 20 30 BDEDMP C=CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374420708 384571984 /nfs/dbraw/zinc/57/19/84/384571984.db2.gz METXRQODMNHYFJ-JHJVBQTASA-N 2 1 224.348 1.356 20 30 BDEDMP C=CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374420718 384572629 /nfs/dbraw/zinc/57/26/29/384572629.db2.gz METXRQODMNHYFJ-YNEHKIRRSA-N 2 1 224.348 1.356 20 30 BDEDMP C=CC(C)(C)C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000449483851 385182842 /nfs/dbraw/zinc/18/28/42/385182842.db2.gz CSRMTFDBNHMZCN-UHFFFAOYSA-N 2 1 240.391 1.899 20 30 BDEDMP C[C@@H]1C[C@@H]([NH2+]CCCCC#N)CC[N@H+]1C ZINC000156231118 385442851 /nfs/dbraw/zinc/44/28/51/385442851.db2.gz LIWALUVNSIVAMF-NEPJUHHUSA-N 2 1 209.337 1.753 20 30 BDEDMP N#Cc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107573934 385568506 /nfs/dbraw/zinc/56/85/06/385568506.db2.gz WRVLXJXRGNNBQV-OKILXGFUSA-N 2 1 227.311 1.209 20 30 BDEDMP N#Cc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107573934 385568509 /nfs/dbraw/zinc/56/85/09/385568509.db2.gz WRVLXJXRGNNBQV-OKILXGFUSA-N 2 1 227.311 1.209 20 30 BDEDMP C[C@]1(C[NH+]2CCC(C#N)CC2)CC[NH2+]C1 ZINC000335448369 386517747 /nfs/dbraw/zinc/51/77/47/386517747.db2.gz ONAJDKFWGFROEX-LBPRGKRZSA-N 2 1 207.321 1.222 20 30 BDEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CCC#N ZINC000519141898 387019769 /nfs/dbraw/zinc/01/97/69/387019769.db2.gz SMPWQSRTONKENP-JTQLQIEISA-N 2 1 206.293 1.331 20 30 BDEDMP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1 ZINC000423569982 387379909 /nfs/dbraw/zinc/37/99/09/387379909.db2.gz WNCRLJTYFMIFIX-JHJVBQTASA-N 2 1 221.348 1.800 20 30 BDEDMP C=CCC[C@@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423486224 387331342 /nfs/dbraw/zinc/33/13/42/387331342.db2.gz BGDJKKMQAKJGEG-KGLIPLIRSA-N 2 1 239.407 1.615 20 30 BDEDMP C=CCC[C@H](CC)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423515194 387350591 /nfs/dbraw/zinc/35/05/91/387350591.db2.gz MUJPWHCOHNZFOF-STQMWFEESA-N 2 1 225.380 1.224 20 30 BDEDMP C#CC[NH+](C)CCCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000327980309 387601871 /nfs/dbraw/zinc/60/18/71/387601871.db2.gz IODDRLGUTOEXNC-KBPBESRZSA-N 2 1 237.391 1.014 20 30 BDEDMP C#CC[N@@H+](C)CCCN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000327980309 387601874 /nfs/dbraw/zinc/60/18/74/387601874.db2.gz IODDRLGUTOEXNC-KBPBESRZSA-N 2 1 237.391 1.014 20 30 BDEDMP C#CC[N@H+](C)CCCN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000327980309 387601877 /nfs/dbraw/zinc/60/18/77/387601877.db2.gz IODDRLGUTOEXNC-KBPBESRZSA-N 2 1 237.391 1.014 20 30 BDEDMP C=C(C)COCC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422989198 387798178 /nfs/dbraw/zinc/79/81/78/387798178.db2.gz KTWNQSCTZZJIDL-OLZOCXBDSA-N 2 1 226.364 1.699 20 30 BDEDMP C=CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423080773 387876070 /nfs/dbraw/zinc/87/60/70/387876070.db2.gz ALNYQKOHPDCIAH-MCIONIFRSA-N 2 1 238.375 1.699 20 30 BDEDMP C=CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423080775 387876780 /nfs/dbraw/zinc/87/67/80/387876780.db2.gz ALNYQKOHPDCIAH-MJBXVCDLSA-N 2 1 238.375 1.699 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000424299968 387960113 /nfs/dbraw/zinc/96/01/13/387960113.db2.gz WJMDWJIIMLVWDQ-FQUUOJAGSA-N 2 1 238.375 1.507 20 30 BDEDMP C=CCCCC[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000453090212 387981570 /nfs/dbraw/zinc/98/15/70/387981570.db2.gz BQCRLZUAYNRFBH-STQMWFEESA-N 2 1 228.380 1.633 20 30 BDEDMP C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CCC[NH2+]1 ZINC000424374798 387999935 /nfs/dbraw/zinc/99/99/35/387999935.db2.gz LRNOVISUDYEOBU-WRWGMCAJSA-N 2 1 207.321 1.409 20 30 BDEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 ZINC000423231546 388016993 /nfs/dbraw/zinc/01/69/93/388016993.db2.gz GUIOCJXQSYBZPB-GRYCIOLGSA-N 2 1 207.321 1.410 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000453350594 388055487 /nfs/dbraw/zinc/05/54/87/388055487.db2.gz LOMPVHLPAHDFOM-RQJABVFESA-N 2 1 238.375 1.792 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000453350594 388055489 /nfs/dbraw/zinc/05/54/89/388055489.db2.gz LOMPVHLPAHDFOM-RQJABVFESA-N 2 1 238.375 1.792 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449520367 388222436 /nfs/dbraw/zinc/22/24/36/388222436.db2.gz PBKQBXWXFIFZBV-SYQHCUMBSA-N 2 1 236.359 1.546 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000451605664 388283233 /nfs/dbraw/zinc/28/32/33/388283233.db2.gz DYQMOCYYAYWSBX-NEPJUHHUSA-N 2 1 221.304 1.125 20 30 BDEDMP C#C[C@H](C)N(C)CC(C)C[N@@H+](C)[C@@H](C)C#C ZINC000491565576 388304031 /nfs/dbraw/zinc/30/40/31/388304031.db2.gz AJSQIQBAYBRHSE-KBPBESRZSA-N 2 1 220.360 1.530 20 30 BDEDMP C#C[C@H](C)[NH+](C)CC(C)C[N@H+](C)[C@@H](C)C#C ZINC000491565576 388304032 /nfs/dbraw/zinc/30/40/32/388304032.db2.gz AJSQIQBAYBRHSE-KBPBESRZSA-N 2 1 220.360 1.530 20 30 BDEDMP C#C[C@H](C)[NH+](C)CC(C)C[N@@H+](C)[C@@H](C)C#C ZINC000491565576 388304033 /nfs/dbraw/zinc/30/40/33/388304033.db2.gz AJSQIQBAYBRHSE-KBPBESRZSA-N 2 1 220.360 1.530 20 30 BDEDMP C#C[C@@H](C)[NH+](C)CCCC[N@H+](C)[C@H](C)C#C ZINC000491699793 388312249 /nfs/dbraw/zinc/31/22/49/388312249.db2.gz JLKGFNWVLPHAIS-ZIAGYGMSSA-N 2 1 220.360 1.674 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000491071176 388268062 /nfs/dbraw/zinc/26/80/62/388268062.db2.gz IJGAPLKSUWBRSP-KGLIPLIRSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000491071176 388268063 /nfs/dbraw/zinc/26/80/63/388268063.db2.gz IJGAPLKSUWBRSP-KGLIPLIRSA-N 2 1 238.375 1.489 20 30 BDEDMP CC(C)(C#N)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000164696983 388397607 /nfs/dbraw/zinc/39/76/07/388397607.db2.gz VMFLAVTVVUIQNU-VXGBXAGGSA-N 2 1 221.348 1.753 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000393903048 388446418 /nfs/dbraw/zinc/44/64/18/388446418.db2.gz ITCASMICFCTXOV-FRRDWIJNSA-N 2 1 208.349 1.576 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000393903048 388446421 /nfs/dbraw/zinc/44/64/21/388446421.db2.gz ITCASMICFCTXOV-FRRDWIJNSA-N 2 1 208.349 1.576 20 30 BDEDMP N#Cc1ccc(OCC[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422987153 388686578 /nfs/dbraw/zinc/68/65/78/388686578.db2.gz FMJABCDIVUMKGV-KGLIPLIRSA-N 2 1 245.326 1.406 20 30 BDEDMP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H](C[NH3+])C1CC1)CC2 ZINC000423284169 388690121 /nfs/dbraw/zinc/69/01/21/388690121.db2.gz WLNQMVDYLPUVFH-HUUCEWRRSA-N 2 1 241.338 1.872 20 30 BDEDMP C=CC[N@@H+](CCOC)C[C@@H]1CCC[NH2+]C1 ZINC000234683594 134385258 /nfs/dbraw/zinc/38/52/58/134385258.db2.gz JDCSMDRREKECKO-GFCCVEGCSA-N 2 1 212.337 1.120 20 30 BDEDMP C=CC[N@H+](CCOC)C[C@@H]1CCC[NH2+]C1 ZINC000234683594 134385259 /nfs/dbraw/zinc/38/52/59/134385259.db2.gz JDCSMDRREKECKO-GFCCVEGCSA-N 2 1 212.337 1.120 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336738722 134920514 /nfs/dbraw/zinc/92/05/14/134920514.db2.gz ONCOFSRPBGPSIE-VXGBXAGGSA-N 2 1 218.304 1.473 20 30 BDEDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000253237525 135125019 /nfs/dbraw/zinc/12/50/19/135125019.db2.gz FOKZKBBPXHVTEY-NWDGAFQWSA-N 2 1 221.348 1.610 20 30 BDEDMP CCCCNC(=[NH2+])NCCCn1cc[nH+]c1C ZINC000264101406 135133331 /nfs/dbraw/zinc/13/33/31/135133331.db2.gz OCCMRMGYXYDTHE-UHFFFAOYSA-N 2 1 237.351 1.286 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261584009 135224790 /nfs/dbraw/zinc/22/47/90/135224790.db2.gz RZUGLPBUXBNJDG-GJZGRUSLSA-N 2 1 241.338 1.742 20 30 BDEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261584009 135224792 /nfs/dbraw/zinc/22/47/92/135224792.db2.gz RZUGLPBUXBNJDG-GJZGRUSLSA-N 2 1 241.338 1.742 20 30 BDEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000262004399 135271773 /nfs/dbraw/zinc/27/17/73/135271773.db2.gz QWYKTANTMBDMML-LBPRGKRZSA-N 2 1 238.379 1.033 20 30 BDEDMP C[C@H]1C[NH+]=C(NC[C@@H]2[N@@H+](C)CCCC2(C)C)N1 ZINC000262679970 135313388 /nfs/dbraw/zinc/31/33/88/135313388.db2.gz VPZSPSNPDUCUSB-QWRGUYRKSA-N 2 1 238.379 1.044 20 30 BDEDMP C=CCNC(=[NH2+])NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000262909338 135323249 /nfs/dbraw/zinc/32/32/49/135323249.db2.gz YJCJXVRZMGUWQJ-GFCCVEGCSA-N 2 1 236.363 1.094 20 30 BDEDMP CC(C)NC(=[NH2+])NCC[N@H+]1CCCC1(C)C ZINC000263178811 135337939 /nfs/dbraw/zinc/33/79/39/135337939.db2.gz TWLKWXJDFGODKW-UHFFFAOYSA-N 2 1 226.368 1.174 20 30 BDEDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000037643912 170008543 /nfs/dbraw/zinc/00/85/43/170008543.db2.gz WWMZEWSZOVWWOB-HNNXBMFYSA-N 2 1 243.354 1.990 20 30 BDEDMP CC#CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659304 411614231 /nfs/dbraw/zinc/61/42/31/411614231.db2.gz OBDSZKVHGVXHFH-CYBMUJFWSA-N 2 1 206.333 1.427 20 30 BDEDMP CC#CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659304 411614233 /nfs/dbraw/zinc/61/42/33/411614233.db2.gz OBDSZKVHGVXHFH-CYBMUJFWSA-N 2 1 206.333 1.427 20 30 BDEDMP CC#CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659304 411614234 /nfs/dbraw/zinc/61/42/34/411614234.db2.gz OBDSZKVHGVXHFH-CYBMUJFWSA-N 2 1 206.333 1.427 20 30 BDEDMP CC#CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659304 411614235 /nfs/dbraw/zinc/61/42/35/411614235.db2.gz OBDSZKVHGVXHFH-CYBMUJFWSA-N 2 1 206.333 1.427 20 30 BDEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000657875957 411615273 /nfs/dbraw/zinc/61/52/73/411615273.db2.gz QZNJKDMOAQVGKK-MGPQQGTHSA-N 2 1 240.391 1.633 20 30 BDEDMP C=CC[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000661380172 411763254 /nfs/dbraw/zinc/76/32/54/411763254.db2.gz BSHIWLWFFATOPY-KBPBESRZSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000661380172 411763255 /nfs/dbraw/zinc/76/32/55/411763255.db2.gz BSHIWLWFFATOPY-KBPBESRZSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000661380172 411763258 /nfs/dbraw/zinc/76/32/58/411763258.db2.gz BSHIWLWFFATOPY-KBPBESRZSA-N 2 1 240.391 1.587 20 30 BDEDMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)C[N@@H+](C)CC ZINC000662091436 411985539 /nfs/dbraw/zinc/98/55/39/411985539.db2.gz XXWPWWFKHUTBSD-MJBXVCDLSA-N 2 1 238.375 1.482 20 30 BDEDMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)C[N@H+](C)CC ZINC000662091436 411985543 /nfs/dbraw/zinc/98/55/43/411985543.db2.gz XXWPWWFKHUTBSD-MJBXVCDLSA-N 2 1 238.375 1.482 20 30 BDEDMP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)C[NH+](C)CC ZINC000662091436 411985548 /nfs/dbraw/zinc/98/55/48/411985548.db2.gz XXWPWWFKHUTBSD-MJBXVCDLSA-N 2 1 238.375 1.482 20 30 BDEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)C[NH+](C)CC ZINC000662091436 411985550 /nfs/dbraw/zinc/98/55/50/411985550.db2.gz XXWPWWFKHUTBSD-MJBXVCDLSA-N 2 1 238.375 1.482 20 30 BDEDMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000040592091 173367979 /nfs/dbraw/zinc/36/79/79/173367979.db2.gz LOXOKPGZUSTGCG-HNNXBMFYSA-N 2 1 243.354 1.990 20 30 BDEDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000040592091 173367981 /nfs/dbraw/zinc/36/79/81/173367981.db2.gz LOXOKPGZUSTGCG-HNNXBMFYSA-N 2 1 243.354 1.990 20 30 BDEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000105480519 176269943 /nfs/dbraw/zinc/26/99/43/176269943.db2.gz FJPSUPASGBRIHC-DOMZBBRYSA-N 2 1 243.354 1.988 20 30 BDEDMP CCC#C[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000680866218 487661145 /nfs/dbraw/zinc/66/11/45/487661145.db2.gz XUCPXSMDEAYKLR-OLZOCXBDSA-N 2 1 208.349 1.672 20 30 BDEDMP CCC#C[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000680866218 487661146 /nfs/dbraw/zinc/66/11/46/487661146.db2.gz XUCPXSMDEAYKLR-OLZOCXBDSA-N 2 1 208.349 1.672 20 30 BDEDMP C#CCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000363466339 491121057 /nfs/dbraw/zinc/12/10/57/491121057.db2.gz FNWFFDPVOUCIDB-CQSZACIVSA-N 2 1 220.360 1.960 20 30 BDEDMP C=C(CC)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000352782748 534372748 /nfs/dbraw/zinc/37/27/48/534372748.db2.gz GAIWAQSUDJPCBP-UHFFFAOYSA-N 2 1 239.407 1.522 20 30 BDEDMP C=C(CC)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335699802 534395280 /nfs/dbraw/zinc/39/52/80/534395280.db2.gz JBODUUYJPQDXCO-CYBMUJFWSA-N 2 1 208.349 1.980 20 30 BDEDMP C=C(CC)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335699802 534395291 /nfs/dbraw/zinc/39/52/91/534395291.db2.gz JBODUUYJPQDXCO-CYBMUJFWSA-N 2 1 208.349 1.980 20 30 BDEDMP C=C(CC)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335699802 534395302 /nfs/dbraw/zinc/39/53/02/534395302.db2.gz JBODUUYJPQDXCO-CYBMUJFWSA-N 2 1 208.349 1.980 20 30 BDEDMP CC(C)(C)NC(=[NH2+])NCC[N@H+]1CCCC1(C)C ZINC000263109842 534661937 /nfs/dbraw/zinc/66/19/37/534661937.db2.gz KXUBFOFCQIHDKG-UHFFFAOYSA-N 2 1 240.395 1.564 20 30 BDEDMP C=CCCOCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300413670 534779591 /nfs/dbraw/zinc/77/95/91/534779591.db2.gz FNCKOOSBOBTMKC-KBPBESRZSA-N 2 1 238.375 1.796 20 30 BDEDMP C=CCOCC[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000339010915 534879594 /nfs/dbraw/zinc/87/95/94/534879594.db2.gz FCDHZYYPEAUNEJ-AWEZNQCLSA-N 2 1 240.391 1.853 20 30 BDEDMP C=CCOCC[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000339010915 534879597 /nfs/dbraw/zinc/87/95/97/534879597.db2.gz FCDHZYYPEAUNEJ-AWEZNQCLSA-N 2 1 240.391 1.853 20 30 BDEDMP C=C(C)COCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400558370 526655799 /nfs/dbraw/zinc/65/57/99/526655799.db2.gz ZTZWKTMZLWVNOC-VXGBXAGGSA-N 2 1 212.337 1.309 20 30 BDEDMP C#CC[NH+](CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000491752324 526901143 /nfs/dbraw/zinc/90/11/43/526901143.db2.gz LYXOYAMLLQLVPU-LBPRGKRZSA-N 2 1 206.333 1.568 20 30 BDEDMP C#CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000491752324 526901146 /nfs/dbraw/zinc/90/11/46/526901146.db2.gz LYXOYAMLLQLVPU-LBPRGKRZSA-N 2 1 206.333 1.568 20 30 BDEDMP C#CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000491752324 526901147 /nfs/dbraw/zinc/90/11/47/526901147.db2.gz LYXOYAMLLQLVPU-LBPRGKRZSA-N 2 1 206.333 1.568 20 30 BDEDMP C#CC[N@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000491752324 526901152 /nfs/dbraw/zinc/90/11/52/526901152.db2.gz LYXOYAMLLQLVPU-LBPRGKRZSA-N 2 1 206.333 1.568 20 30 BDEDMP C#C[C@@H]([NH2+]C1CC[NH+](CC)CC1)C(C)C ZINC000300967909 527290193 /nfs/dbraw/zinc/29/01/93/527290193.db2.gz RTRGASFEGWMQDY-CYBMUJFWSA-N 2 1 208.349 1.718 20 30 BDEDMP C=CCC[C@H](CO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400413831 527473311 /nfs/dbraw/zinc/47/33/11/527473311.db2.gz UTSDGQPHKXZYSG-QJPTWQEYSA-N 2 1 212.337 1.044 20 30 BDEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])NC(C)C)C1 ZINC000262352825 535128352 /nfs/dbraw/zinc/12/83/52/535128352.db2.gz FKMLPPNUSUJWEF-LBPRGKRZSA-N 2 1 240.395 1.277 20 30 BDEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])NC(C)C ZINC000104191488 583163018 /nfs/dbraw/zinc/16/30/18/583163018.db2.gz LKOYMQSZZLTAND-SNVBAGLBSA-N 2 1 214.357 1.029 20 30 BDEDMP C[N@@H+](Cc1ccc(C#N)o1)C1CCC([NH3+])CC1 ZINC000863641816 583994991 /nfs/dbraw/zinc/99/49/91/583994991.db2.gz KXLIORSEVWWXJW-UHFFFAOYSA-N 2 1 233.315 1.853 20 30 BDEDMP CC1(C#N)CCC([NH2+]CC2([NH3+])CC2)CC1 ZINC000902406973 584574350 /nfs/dbraw/zinc/57/43/50/584574350.db2.gz ONBWAHNMEQJSHV-UHFFFAOYSA-N 2 1 207.321 1.540 20 30 BDEDMP C[NH2+]CC[N@H+](C)CC1CCC(C#N)CC1 ZINC000903453955 584772979 /nfs/dbraw/zinc/77/29/79/584772979.db2.gz QCVFBGALHKXASJ-UHFFFAOYSA-N 2 1 209.337 1.468 20 30 BDEDMP C[NH2+]CC[N@@H+](C)CC1CCC(C#N)CC1 ZINC000903453955 584772981 /nfs/dbraw/zinc/77/29/81/584772981.db2.gz QCVFBGALHKXASJ-UHFFFAOYSA-N 2 1 209.337 1.468 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903861967 584813464 /nfs/dbraw/zinc/81/34/64/584813464.db2.gz ZQWWSPVDHDQVPF-FRRDWIJNSA-N 2 1 224.348 1.127 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903861967 584813465 /nfs/dbraw/zinc/81/34/65/584813465.db2.gz ZQWWSPVDHDQVPF-FRRDWIJNSA-N 2 1 224.348 1.127 20 30 BDEDMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](C#N)C2)CC[NH2+]1 ZINC000903987626 584836243 /nfs/dbraw/zinc/83/62/43/584836243.db2.gz IAHAEUXIAYTHIE-AGIUHOORSA-N 2 1 221.348 1.610 20 30 BDEDMP N#Cc1cccc2c1C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904375854 584875413 /nfs/dbraw/zinc/87/54/13/584875413.db2.gz HXTPNFHZVIGABW-GSJFWJNXSA-N 2 1 227.311 1.611 20 30 BDEDMP N#Cc1cccc2c1C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904375854 584875415 /nfs/dbraw/zinc/87/54/15/584875415.db2.gz HXTPNFHZVIGABW-GSJFWJNXSA-N 2 1 227.311 1.611 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCn1cccn1 ZINC000815651974 586690310 /nfs/dbraw/zinc/69/03/10/586690310.db2.gz KQTWTQUSGJMQGU-AWEZNQCLSA-N 2 1 248.374 1.206 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCn1cccn1 ZINC000815651974 586690312 /nfs/dbraw/zinc/69/03/12/586690312.db2.gz KQTWTQUSGJMQGU-AWEZNQCLSA-N 2 1 248.374 1.206 20 30 BDEDMP C=C(Cl)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000817903634 586836146 /nfs/dbraw/zinc/83/61/46/586836146.db2.gz HCZPVGGRUUPFCH-WCBMZHEXSA-N 2 1 202.729 1.717 20 30 BDEDMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000817970071 586856629 /nfs/dbraw/zinc/85/66/29/586856629.db2.gz KVPFBWQWWSJPCY-HZMBPMFUSA-N 2 1 229.327 1.872 20 30 BDEDMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(OCC#N)cc1 ZINC000817972212 586859497 /nfs/dbraw/zinc/85/94/97/586859497.db2.gz KCWKHYLKAKKGLJ-WDEREUQCSA-N 2 1 233.315 1.587 20 30 BDEDMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817977902 586862146 /nfs/dbraw/zinc/86/21/46/586862146.db2.gz RHSKCAZTQXRFJG-SRVKXCTJSA-N 2 1 247.342 1.975 20 30 BDEDMP CCC[N@H+]1CC[C@@H](CNC(NC2CC2)=[NH+]C)C1 ZINC000848997503 588429572 /nfs/dbraw/zinc/42/95/72/588429572.db2.gz MONIWLIRDXEPLY-NSHDSACASA-N 2 1 238.379 1.046 20 30 BDEDMP CNC(NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)=[NH+]C ZINC000849214560 588461862 /nfs/dbraw/zinc/46/18/62/588461862.db2.gz QNSPGSVMGBSLQZ-PHIMTYICSA-N 2 1 226.368 1.044 20 30 BDEDMP C#CCC[N@@H+](CCOC)CC[C@@H]1CCC[NH+]1C ZINC000852750630 588699814 /nfs/dbraw/zinc/69/98/14/588699814.db2.gz ANFSKSZPPAXYGE-AWEZNQCLSA-N 2 1 238.375 1.442 20 30 BDEDMP C#CCC[N@H+](CCOC)CC[C@@H]1CCC[NH+]1C ZINC000852750630 588699815 /nfs/dbraw/zinc/69/98/15/588699815.db2.gz ANFSKSZPPAXYGE-AWEZNQCLSA-N 2 1 238.375 1.442 20 30 BDEDMP C#CCC[NH+](CCOC)CC[C@@H]1CCC[N@@H+]1C ZINC000852750630 588699816 /nfs/dbraw/zinc/69/98/16/588699816.db2.gz ANFSKSZPPAXYGE-AWEZNQCLSA-N 2 1 238.375 1.442 20 30 BDEDMP C#CCC[NH+](CCOC)CC[C@@H]1CCC[N@H+]1C ZINC000852750630 588699817 /nfs/dbraw/zinc/69/98/17/588699817.db2.gz ANFSKSZPPAXYGE-AWEZNQCLSA-N 2 1 238.375 1.442 20 30 BDEDMP C#CC[N@@H+](CCCc1c[nH+]cn1C)C1CSC1 ZINC000878910469 590646655 /nfs/dbraw/zinc/64/66/55/590646655.db2.gz NGSUAFGQPFFEGO-UHFFFAOYSA-N 2 1 249.383 1.403 20 30 BDEDMP C#CC[N@H+](CCCc1c[nH+]cn1C)C1CSC1 ZINC000878910469 590646657 /nfs/dbraw/zinc/64/66/57/590646657.db2.gz NGSUAFGQPFFEGO-UHFFFAOYSA-N 2 1 249.383 1.403 20 30 BDEDMP C=CCOCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579534 590817937 /nfs/dbraw/zinc/81/79/37/590817937.db2.gz NHAKAXYPUUPQGU-STQMWFEESA-N 2 1 224.348 1.215 20 30 BDEDMP C=CCOCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579534 590817939 /nfs/dbraw/zinc/81/79/39/590817939.db2.gz NHAKAXYPUUPQGU-STQMWFEESA-N 2 1 224.348 1.215 20 30 BDEDMP C=CCOCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579534 590817941 /nfs/dbraw/zinc/81/79/41/590817941.db2.gz NHAKAXYPUUPQGU-STQMWFEESA-N 2 1 224.348 1.215 20 30 BDEDMP C=CCOCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579534 590817943 /nfs/dbraw/zinc/81/79/43/590817943.db2.gz NHAKAXYPUUPQGU-STQMWFEESA-N 2 1 224.348 1.215 20 30 BDEDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCC#N ZINC000887131269 592449417 /nfs/dbraw/zinc/44/94/17/592449417.db2.gz UOTFSMLNLNLYGQ-ZDUSSCGKSA-N 2 1 244.342 1.896 20 30 BDEDMP CC[N@@H+](CCNC(=[NH2+])NCC1CCC1)C(C)C ZINC000104191584 592604853 /nfs/dbraw/zinc/60/48/53/592604853.db2.gz VJCZIHUNFKGNKB-UHFFFAOYSA-N 2 1 240.395 1.421 20 30 BDEDMP CCCCCCC[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000308668684 631476522 /nfs/dbraw/zinc/47/65/22/631476522.db2.gz UMBRSYXMXFWPJO-NSHDSACASA-N 2 1 202.342 1.208 20 30 BDEDMP C#C[C@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000934516626 631896439 /nfs/dbraw/zinc/89/64/39/631896439.db2.gz NBYLKBGDEBSAQA-LBPRGKRZSA-N 2 1 217.316 1.450 20 30 BDEDMP C#C[C@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000934516626 631896440 /nfs/dbraw/zinc/89/64/40/631896440.db2.gz NBYLKBGDEBSAQA-LBPRGKRZSA-N 2 1 217.316 1.450 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2COC[C@H]2C)CC1 ZINC000924987421 635825219 /nfs/dbraw/zinc/82/52/19/635825219.db2.gz QGZUFYPANNETGT-TZMCWYRMSA-N 2 1 238.375 1.651 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CS[C@H](C)C1 ZINC000328210653 633742924 /nfs/dbraw/zinc/74/29/24/633742924.db2.gz WKOIWBCODONGRS-VXGBXAGGSA-N 2 1 226.389 1.425 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CS[C@H](C)C1 ZINC000328210653 633742932 /nfs/dbraw/zinc/74/29/32/633742932.db2.gz WKOIWBCODONGRS-VXGBXAGGSA-N 2 1 226.389 1.425 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]CCCC(C)C ZINC000328225483 633743699 /nfs/dbraw/zinc/74/36/99/633743699.db2.gz BJPIWEZCMHMJIX-UHFFFAOYSA-N 2 1 210.365 1.967 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]CCCC(C)C ZINC000328225483 633743707 /nfs/dbraw/zinc/74/37/07/633743707.db2.gz BJPIWEZCMHMJIX-UHFFFAOYSA-N 2 1 210.365 1.967 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H]1CCC=CO1 ZINC000328302623 633751681 /nfs/dbraw/zinc/75/16/81/633751681.db2.gz UXJFCUJFJCWQTO-CYBMUJFWSA-N 2 1 222.332 1.224 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H]1CCC=CO1 ZINC000328302623 633751695 /nfs/dbraw/zinc/75/16/95/633751695.db2.gz UXJFCUJFJCWQTO-CYBMUJFWSA-N 2 1 222.332 1.224 20 30 BDEDMP C#CCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000228201112 633899942 /nfs/dbraw/zinc/89/99/42/633899942.db2.gz RXHSJYASYJRFIY-UONOGXRCSA-N 2 1 220.360 1.816 20 30 BDEDMP C#CCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000228201112 633899948 /nfs/dbraw/zinc/89/99/48/633899948.db2.gz RXHSJYASYJRFIY-UONOGXRCSA-N 2 1 220.360 1.816 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925682758 634287196 /nfs/dbraw/zinc/28/71/96/634287196.db2.gz FDXIZUDBGOGMCZ-GRYCIOLGSA-N 2 1 222.332 1.204 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@](C)(CC)OC ZINC000319532193 634318941 /nfs/dbraw/zinc/31/89/41/634318941.db2.gz BNBWMYFUICQJGL-CYBMUJFWSA-N 2 1 226.364 1.346 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@](C)(CC)OC ZINC000319532193 634318945 /nfs/dbraw/zinc/31/89/45/634318945.db2.gz BNBWMYFUICQJGL-CYBMUJFWSA-N 2 1 226.364 1.346 20 30 BDEDMP C=CCOc1ccc(C[NH2+]CC2([NH3+])CC2)cc1 ZINC000904450320 637417113 /nfs/dbraw/zinc/41/71/13/637417113.db2.gz RSLLNFZKAYJOQG-UHFFFAOYSA-N 2 1 232.327 1.832 20 30 BDEDMP C[C@@H](CCC#N)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931438311 640201698 /nfs/dbraw/zinc/20/16/98/640201698.db2.gz WRQGYEBVPBHTKK-RWMBFGLXSA-N 2 1 221.348 1.562 20 30 BDEDMP C[C@@H](CCC#N)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931438311 640201704 /nfs/dbraw/zinc/20/17/04/640201704.db2.gz WRQGYEBVPBHTKK-RWMBFGLXSA-N 2 1 221.348 1.562 20 30 BDEDMP C[C@@H](CCC#N)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931438311 640201706 /nfs/dbraw/zinc/20/17/06/640201706.db2.gz WRQGYEBVPBHTKK-RWMBFGLXSA-N 2 1 221.348 1.562 20 30 BDEDMP C=C(C)CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931436259 640203999 /nfs/dbraw/zinc/20/39/99/640203999.db2.gz LQWSHYXCIBLNSX-OLZOCXBDSA-N 2 1 208.349 1.836 20 30 BDEDMP C=C(C)CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931436259 640204007 /nfs/dbraw/zinc/20/40/07/640204007.db2.gz LQWSHYXCIBLNSX-OLZOCXBDSA-N 2 1 208.349 1.836 20 30 BDEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931436259 640204014 /nfs/dbraw/zinc/20/40/14/640204014.db2.gz LQWSHYXCIBLNSX-OLZOCXBDSA-N 2 1 208.349 1.836 20 30 BDEDMP C=CC[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931443103 640207359 /nfs/dbraw/zinc/20/73/59/640207359.db2.gz RLSANHNCNINWBZ-FRRDWIJNSA-N 2 1 208.349 1.835 20 30 BDEDMP C=CC[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931443103 640207363 /nfs/dbraw/zinc/20/73/63/640207363.db2.gz RLSANHNCNINWBZ-FRRDWIJNSA-N 2 1 208.349 1.835 20 30 BDEDMP C=CC[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931443103 640207370 /nfs/dbraw/zinc/20/73/70/640207370.db2.gz RLSANHNCNINWBZ-FRRDWIJNSA-N 2 1 208.349 1.835 20 30 BDEDMP C[C@@H](CCC#N)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933737262 640755662 /nfs/dbraw/zinc/75/56/62/640755662.db2.gz OYOXKRLUNYAQJX-RWMBFGLXSA-N 2 1 221.348 1.562 20 30 BDEDMP C[C@@H](CCC#N)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933737262 640755671 /nfs/dbraw/zinc/75/56/71/640755671.db2.gz OYOXKRLUNYAQJX-RWMBFGLXSA-N 2 1 221.348 1.562 20 30 BDEDMP C[C@@H](CCC#N)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933737262 640755680 /nfs/dbraw/zinc/75/56/80/640755680.db2.gz OYOXKRLUNYAQJX-RWMBFGLXSA-N 2 1 221.348 1.562 20 30 BDEDMP C[C@@H](CCC#N)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933737262 640755685 /nfs/dbraw/zinc/75/56/85/640755685.db2.gz OYOXKRLUNYAQJX-RWMBFGLXSA-N 2 1 221.348 1.562 20 30 BDEDMP C[C@@H]1CCC[N@@H+](CCCCNC(=[NH2+])N(C)C)C1 ZINC000170903793 640935810 /nfs/dbraw/zinc/93/58/10/640935810.db2.gz AINLCQSGUDJBLZ-GFCCVEGCSA-N 2 1 240.395 1.375 20 30 BDEDMP CCC[N@@H+](CC)CCNC(=[NH2+])N[C@H](C)CC ZINC000173245978 641163609 /nfs/dbraw/zinc/16/36/09/641163609.db2.gz GCHLZZIGOYQUGB-LLVKDONJSA-N 2 1 228.384 1.421 20 30 BDEDMP C=CCCC[N@H+](CC)C[C@H](O)C[NH+](C)C(C)C ZINC000934645597 641227525 /nfs/dbraw/zinc/22/75/25/641227525.db2.gz VAWQUIDYCSFOEZ-CQSZACIVSA-N 2 1 242.407 1.976 20 30 BDEDMP C=CCCC[NH+](CC)C[C@H](O)C[N@H+](C)C(C)C ZINC000934645597 641227534 /nfs/dbraw/zinc/22/75/34/641227534.db2.gz VAWQUIDYCSFOEZ-CQSZACIVSA-N 2 1 242.407 1.976 20 30 BDEDMP C=CCCC[NH+](CC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000934645597 641227537 /nfs/dbraw/zinc/22/75/37/641227537.db2.gz VAWQUIDYCSFOEZ-CQSZACIVSA-N 2 1 242.407 1.976 20 30 BDEDMP C=CCC[C@@H](O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000923374901 644388607 /nfs/dbraw/zinc/38/86/07/644388607.db2.gz VVRXXZNIPLNZJV-KGLIPLIRSA-N 2 1 240.391 1.811 20 30 BDEDMP C=CC[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923387626 644397762 /nfs/dbraw/zinc/39/77/62/644397762.db2.gz XNHLPEMXQLXBDF-VOAKCMCISA-N 2 1 224.348 1.125 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000923423257 644420345 /nfs/dbraw/zinc/42/03/45/644420345.db2.gz KOCQJQXNGXVZDM-CRWXNKLISA-N 2 1 240.391 1.761 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000923423257 644420349 /nfs/dbraw/zinc/42/03/49/644420349.db2.gz KOCQJQXNGXVZDM-CRWXNKLISA-N 2 1 240.391 1.761 20 30 BDEDMP C=C(Cl)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923491959 644468434 /nfs/dbraw/zinc/46/84/34/644468434.db2.gz VJSZYUNUOHOSAA-WCBMZHEXSA-N 2 1 202.729 1.656 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923494475 644469800 /nfs/dbraw/zinc/46/98/00/644469800.db2.gz XWDBSRJORVDEJR-AVGNSLFASA-N 2 1 226.364 1.230 20 30 BDEDMP CCCCNC(=[NH2+])NCC[N@H+]1CCCC[C@@H]1C ZINC000303900884 644854977 /nfs/dbraw/zinc/85/49/77/644854977.db2.gz SKTDZDKMCQIMKL-LBPRGKRZSA-N 2 1 240.395 1.565 20 30 BDEDMP C[C@H](CNC(=[NH2+])NCC1CCC1)[N@@H+](C)C1CC1 ZINC000303968354 644860832 /nfs/dbraw/zinc/86/08/32/644860832.db2.gz APPMLDUBSCZNKB-SNVBAGLBSA-N 2 1 238.379 1.174 20 30 BDEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000304740573 644929393 /nfs/dbraw/zinc/92/93/93/644929393.db2.gz BSRFYEWUUKBESX-GFCCVEGCSA-N 2 1 238.379 1.033 20 30 BDEDMP CCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 ZINC000304756871 644930476 /nfs/dbraw/zinc/93/04/76/644930476.db2.gz ODJCVORYWCMPCZ-NSHDSACASA-N 2 1 226.368 1.033 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925694217 646420030 /nfs/dbraw/zinc/42/00/30/646420030.db2.gz UAHVQHPHDJLTLA-MXTYMHHPSA-N 2 1 248.370 1.306 20 30 BDEDMP N#Cc1ccc(F)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000925814685 646492123 /nfs/dbraw/zinc/49/21/23/646492123.db2.gz OIFVSNYBXRMEOZ-ZDUSSCGKSA-N 2 1 247.317 1.929 20 30 BDEDMP C=CCOCCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000700850085 712008123 /nfs/dbraw/zinc/00/81/23/712008123.db2.gz ZNCWZGZGHHIXQS-NWDGAFQWSA-N 2 1 212.337 1.309 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C(C)(C)OC ZINC000382077235 710773689 /nfs/dbraw/zinc/77/36/89/710773689.db2.gz UTRRIIPHUDNSPU-GFCCVEGCSA-N 2 1 226.364 1.345 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C(C)(C)OC ZINC000382077235 710773692 /nfs/dbraw/zinc/77/36/92/710773692.db2.gz UTRRIIPHUDNSPU-GFCCVEGCSA-N 2 1 226.364 1.345 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)o1 ZINC000923480300 712334573 /nfs/dbraw/zinc/33/45/73/712334573.db2.gz WRSAYBKKIZTZIJ-SNVBAGLBSA-N 2 1 219.288 1.322 20 30 BDEDMP C=CC[NH+]1CCN(c2cc3[nH]ccc3c[nH+]2)CC1 ZINC001165033437 721864683 /nfs/dbraw/zinc/86/46/83/721864683.db2.gz OVHRJMXRQMNUJJ-UHFFFAOYSA-N 2 1 242.326 1.871 20 30 BDEDMP C[NH+]1CCC(CC[N@@H+]2CCC[C@@H](C#N)C2)CC1 ZINC001207487399 968799976 /nfs/dbraw/zinc/79/99/76/968799976.db2.gz ZQRYGWAZFZFAKS-AWEZNQCLSA-N 2 1 235.375 1.954 20 30 BDEDMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H](C#N)C2)CC1 ZINC001207487399 968799986 /nfs/dbraw/zinc/79/99/86/968799986.db2.gz ZQRYGWAZFZFAKS-AWEZNQCLSA-N 2 1 235.375 1.954 20 30 BDEDMP CC[N@H+]1CCC[C@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000303886670 970538266 /nfs/dbraw/zinc/53/82/66/970538266.db2.gz NVUBCSSMQNXHCV-LLVKDONJSA-N 2 1 240.395 1.421 20 30 BDEDMP CC(C)[N@H+]1CC[C@H](CNC[C@H](C#N)CCC#N)C1 ZINC001336763769 977932623 /nfs/dbraw/zinc/93/26/23/977932623.db2.gz RSTPMRFANYYFGE-UONOGXRCSA-N 2 1 248.374 1.750 20 30 BDEDMP C#CC[N@@H+](C)C1CC[NH+](CC(C)C)CC1 ZINC001258016389 971558764 /nfs/dbraw/zinc/55/87/64/971558764.db2.gz HFBSKBVYAYRMAX-UHFFFAOYSA-N 2 1 208.349 1.672 20 30 BDEDMP C#CC[N@H+](C)C1CC[NH+](CC(C)C)CC1 ZINC001258016389 971558772 /nfs/dbraw/zinc/55/87/72/971558772.db2.gz HFBSKBVYAYRMAX-UHFFFAOYSA-N 2 1 208.349 1.672 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246019033 972116127 /nfs/dbraw/zinc/11/61/27/972116127.db2.gz HEOVJTRNAXEQPI-QWHCGFSZSA-N 2 1 244.354 1.466 20 30 BDEDMP C=C[C@](C)(O)C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246029805 972122639 /nfs/dbraw/zinc/12/26/39/972122639.db2.gz LWVLPFSLWCEFPM-XQQFMLRXSA-N 2 1 226.364 1.230 20 30 BDEDMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC001246103940 972164193 /nfs/dbraw/zinc/16/41/93/972164193.db2.gz ZRGOVWJZVDKTRH-IKWCTNDRSA-N 2 1 221.348 1.656 20 30 BDEDMP C#CCCC[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237392 972413365 /nfs/dbraw/zinc/41/33/65/972413365.db2.gz HRQNYODTDFFCCJ-CYBMUJFWSA-N 2 1 206.333 1.618 20 30 BDEDMP C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C[NH3+] ZINC000708840852 959910103 /nfs/dbraw/zinc/91/01/03/959910103.db2.gz MPLLAYDIHYPPDG-GXFFZTMASA-N 2 1 247.317 1.724 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C[NH3+] ZINC000708840852 959910117 /nfs/dbraw/zinc/91/01/17/959910117.db2.gz MPLLAYDIHYPPDG-GXFFZTMASA-N 2 1 247.317 1.724 20 30 BDEDMP N#Cc1ccc(CC[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235976914 966194717 /nfs/dbraw/zinc/19/47/17/966194717.db2.gz DJSZOTXJXRZISD-HUUCEWRRSA-N 2 1 241.338 1.524 20 30 BDEDMP N#Cc1ccc(CC[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235976914 966194722 /nfs/dbraw/zinc/19/47/22/966194722.db2.gz DJSZOTXJXRZISD-HUUCEWRRSA-N 2 1 241.338 1.524 20 30 BDEDMP Cc1[nH+]c(N(C)C[C@@H]2CC[NH2+]C2)ccc1CC#N ZINC001166957992 966483973 /nfs/dbraw/zinc/48/39/73/966483973.db2.gz NYGSCZUZGXCFOB-GFCCVEGCSA-N 2 1 244.342 1.502 20 30 BDEDMP CC[NH+]1CCC(C[N@H+]2CC[C@](C)(C#N)C2)CC1 ZINC001208602525 969159187 /nfs/dbraw/zinc/15/91/87/969159187.db2.gz GXDFNEBUNNRVGC-CQSZACIVSA-N 2 1 235.375 1.954 20 30 BDEDMP C=C[C@@H](O)C[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001253598667 969292151 /nfs/dbraw/zinc/29/21/51/969292151.db2.gz WERNCHZQDQKPLQ-CABCVRRESA-N 2 1 248.370 1.816 20 30 BDEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCS)C2 ZINC001169096487 969392955 /nfs/dbraw/zinc/39/29/55/969392955.db2.gz XKQAEOVIYRKQTR-ILWJIGKKSA-N 2 1 200.351 1.131 20 30 BDEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C#N)CC1)C2 ZINC001169126743 969431860 /nfs/dbraw/zinc/43/18/60/969431860.db2.gz XDUDZWNJZVPNOF-BTTYYORXSA-N 2 1 233.359 1.847 20 30 BDEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C#N)CC1)C2 ZINC001169126743 969431864 /nfs/dbraw/zinc/43/18/64/969431864.db2.gz XDUDZWNJZVPNOF-BTTYYORXSA-N 2 1 233.359 1.847 20 30 BDEDMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cncc(C#N)c2)CC1 ZINC001254507368 969673375 /nfs/dbraw/zinc/67/33/75/969673375.db2.gz AVAUFFJABHBIKB-AWEZNQCLSA-N 2 1 244.342 1.527 20 30 BDEDMP C[N@H+]1CCC[C@H]([NH2+]Cc2cncc(C#N)c2)CC1 ZINC001254507368 969673379 /nfs/dbraw/zinc/67/33/79/969673379.db2.gz AVAUFFJABHBIKB-AWEZNQCLSA-N 2 1 244.342 1.527 20 30 BDEDMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cncc(C#N)c2)CC1 ZINC001254507379 969673903 /nfs/dbraw/zinc/67/39/03/969673903.db2.gz AVAUFFJABHBIKB-CQSZACIVSA-N 2 1 244.342 1.527 20 30 BDEDMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cncc(C#N)c2)CC1 ZINC001254507379 969673908 /nfs/dbraw/zinc/67/39/08/969673908.db2.gz AVAUFFJABHBIKB-CQSZACIVSA-N 2 1 244.342 1.527 20 30 BDEDMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(C#N)nc2)CC1 ZINC001254513040 969678836 /nfs/dbraw/zinc/67/88/36/969678836.db2.gz WBKVEZVVEXACFD-CYBMUJFWSA-N 2 1 244.342 1.527 20 30 BDEDMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C#N)nc2)CC1 ZINC001254513040 969678846 /nfs/dbraw/zinc/67/88/46/969678846.db2.gz WBKVEZVVEXACFD-CYBMUJFWSA-N 2 1 244.342 1.527 20 30 BDEDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC001254673732 969780903 /nfs/dbraw/zinc/78/09/03/969780903.db2.gz NWBARHVXAJJCSI-YIYPIFLZSA-N 2 1 233.359 1.562 20 30 BDEDMP C[C@H](CCCC#N)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246567670 972812911 /nfs/dbraw/zinc/81/29/11/972812911.db2.gz JCVPZHPQIBZLLL-WOPDTQHZSA-N 2 1 227.327 1.830 20 30 BDEDMP C[C@H](CCCC#N)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246567670 972812915 /nfs/dbraw/zinc/81/29/15/972812915.db2.gz JCVPZHPQIBZLLL-WOPDTQHZSA-N 2 1 227.327 1.830 20 30 BDEDMP CC[C@H](CC#N)[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246567413 972817004 /nfs/dbraw/zinc/81/70/04/972817004.db2.gz KSOBIPLQEVTRNU-YNEHKIRRSA-N 2 1 223.364 1.985 20 30 BDEDMP N#CCC1CCC([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246640949 973060789 /nfs/dbraw/zinc/06/07/89/973060789.db2.gz VNJLHIXHKUKUKU-NWINJMCUSA-N 2 1 233.359 1.895 20 30 BDEDMP C#CC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172104160 974367616 /nfs/dbraw/zinc/36/76/16/974367616.db2.gz AHDCPFXDMXLWNF-XYYAHUGASA-N 2 1 218.344 1.757 20 30 BDEDMP C=CCOC1CCC([NH2+][C@@H]2C[C@H]2[NH3+])CC1 ZINC001173314338 975298922 /nfs/dbraw/zinc/29/89/22/975298922.db2.gz ORZOOGJSXUNHJV-KIDURHIOSA-N 2 1 210.321 1.189 20 30 BDEDMP C#CCCC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235123393 978979060 /nfs/dbraw/zinc/97/90/60/978979060.db2.gz JTLDEHVWHBOVOZ-CYBMUJFWSA-N 2 1 206.333 1.618 20 30 BDEDMP C#CCCC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235123393 978979065 /nfs/dbraw/zinc/97/90/65/978979065.db2.gz JTLDEHVWHBOVOZ-CYBMUJFWSA-N 2 1 206.333 1.618 20 30 BDEDMP N#Cc1ccc(F)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC000085148337 981313747 /nfs/dbraw/zinc/31/37/47/981313747.db2.gz QSRYOKDYTLHDTN-UHFFFAOYSA-N 2 1 247.317 1.868 20 30 BDEDMP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@H+](CC)C1 ZINC001326940110 984829816 /nfs/dbraw/zinc/82/98/16/984829816.db2.gz ADLLBKZUUFHLJJ-NSHDSACASA-N 2 1 224.352 1.018 20 30 BDEDMP C[C@@]12C[NH2+]C[C@@H]1C[N@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC001579474201 985975163 /nfs/dbraw/zinc/97/51/63/985975163.db2.gz ZUCXXEYAQXXANM-NDBYEHHHSA-N 2 1 219.332 1.220 20 30 BDEDMP C[C@@]12C[NH2+]C[C@@H]1C[N@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC001579474200 985979453 /nfs/dbraw/zinc/97/94/53/985979453.db2.gz ZUCXXEYAQXXANM-LPWJVIDDSA-N 2 1 219.332 1.220 20 30 BDEDMP N#Cc1ccc(C[NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)s1 ZINC001580065169 986507631 /nfs/dbraw/zinc/50/76/31/986507631.db2.gz AEHGLRQMSAFBKU-SKDRFNHKSA-N 2 1 233.340 1.319 20 30 BDEDMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC001254671661 986721598 /nfs/dbraw/zinc/72/15/98/986721598.db2.gz SQMGMLGRDGVWOS-FVCCEPFGSA-N 2 1 219.332 1.172 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC001254671661 986721610 /nfs/dbraw/zinc/72/16/10/986721610.db2.gz SQMGMLGRDGVWOS-FVCCEPFGSA-N 2 1 219.332 1.172 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC001254671661 986721620 /nfs/dbraw/zinc/72/16/20/986721620.db2.gz SQMGMLGRDGVWOS-FVCCEPFGSA-N 2 1 219.332 1.172 20 30 BDEDMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000381761853 986737628 /nfs/dbraw/zinc/73/76/28/986737628.db2.gz UCSFMMVIDDZGNY-FRRDWIJNSA-N 2 1 221.348 1.753 20 30 BDEDMP C=CC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246358031 987768369 /nfs/dbraw/zinc/76/83/69/987768369.db2.gz BXZZWBCFNXTRNZ-MJBXVCDLSA-N 2 1 237.391 1.367 20 30 BDEDMP C=CCOC1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246359737 987768624 /nfs/dbraw/zinc/76/86/24/987768624.db2.gz VYODISQAZCJKDT-ROKHWSDSSA-N 2 1 238.375 1.842 20 30 BDEDMP C=C1C[C@@H]2CC([N@H+]3C[C@@H](N)[C@H](O)C3)C[C@H](C1)C2 ZINC001246558260 987979202 /nfs/dbraw/zinc/97/92/02/987979202.db2.gz PWGKUPZHAOJDJL-QZQCMHJZSA-N 2 1 236.359 1.125 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2CCCC[C@H](C[NH3+])C2)C1 ZINC001246590895 988167662 /nfs/dbraw/zinc/16/76/62/988167662.db2.gz IKDMRHXWECTMKK-UPJWGTAASA-N 2 1 221.348 1.739 20 30 BDEDMP C=CCC[C@@H](C)[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246616723 988249678 /nfs/dbraw/zinc/24/96/78/988249678.db2.gz DAESAMLZGXFIFT-RDBSUJKOSA-N 2 1 237.391 1.367 20 30 BDEDMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](CC#N)C2)CC[NH2+]1 ZINC001246796689 988467553 /nfs/dbraw/zinc/46/75/53/988467553.db2.gz KCVDKUJFUMGBAW-UPJWGTAASA-N 2 1 221.348 1.753 20 30 BDEDMP N#CCC1CCC([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246856404 988575971 /nfs/dbraw/zinc/57/59/71/988575971.db2.gz XAKOJOUFZONXRG-HHTDUIENSA-N 2 1 233.359 1.882 20 30 BDEDMP C=CCCCC[N@H+](C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246868609 988625053 /nfs/dbraw/zinc/62/50/53/988625053.db2.gz BJKPXNPRYLNGQW-CYBMUJFWSA-N 2 1 237.391 1.369 20 30 BDEDMP C=CC[N@@H+]([C@H]1CCNC2(C[NH2+]C2)C1)C(C)(C)C ZINC001246921204 988732873 /nfs/dbraw/zinc/73/28/73/988732873.db2.gz OCSXAVBZKGDSQH-LBPRGKRZSA-N 2 1 237.391 1.367 20 30 BDEDMP CC[C@H](CC#N)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246935675 988767345 /nfs/dbraw/zinc/76/73/45/988767345.db2.gz WDLNUGRIFJUJHC-FRRDWIJNSA-N 2 1 221.348 1.610 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247016812 988843564 /nfs/dbraw/zinc/84/35/64/988843564.db2.gz XZNDQTKQVBKDJH-ZOBORPQBSA-N 2 1 233.359 1.753 20 30 BDEDMP C#CC[NH2+]CC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001523567091 989937861 /nfs/dbraw/zinc/93/78/61/989937861.db2.gz MMICSWWUONJJPV-UHFFFAOYSA-N 2 1 245.326 1.042 20 30 BDEDMP C=CCC[C@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OCC ZINC001258718229 991645802 /nfs/dbraw/zinc/64/58/02/991645802.db2.gz KDSUUVYZRNCACW-RYUDHWBXSA-N 2 1 242.363 1.601 20 30 BDEDMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC(C#N)CC3)[C@H]2C1 ZINC001561052654 991705915 /nfs/dbraw/zinc/70/59/15/991705915.db2.gz HLXRLVNBGSIEDB-NNVWEFMASA-N 2 1 247.386 1.999 20 30 BDEDMP C=CCO[C@H]1CC[N@H+](CCn2ccnc2C)C1 ZINC001320037523 992079137 /nfs/dbraw/zinc/07/91/37/992079137.db2.gz GWMRWMMDZPVUAN-ZDUSSCGKSA-N 2 1 235.331 1.468 20 30 BDEDMP C=C(C)COCC[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001574836965 992923326 /nfs/dbraw/zinc/92/33/26/992923326.db2.gz XUMDPIBKACCCJK-SECBINFHSA-N 2 1 240.269 1.448 20 30 BDEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001574835721 992924505 /nfs/dbraw/zinc/92/45/05/992924505.db2.gz FGMLRVIJUVGPLU-CHWSQXEVSA-N 2 1 208.349 1.884 20 30 BDEDMP CCC(CC)(C[NH3+])C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001577051137 993491025 /nfs/dbraw/zinc/49/10/25/993491025.db2.gz IOGAJRGASUBFMD-GFCCVEGCSA-N 2 1 223.364 1.987 20 30 BDEDMP CCC(CC)(C[NH3+])C[N@H+]1CC[C@](C)(C#N)C1 ZINC001577051137 993491030 /nfs/dbraw/zinc/49/10/30/993491030.db2.gz IOGAJRGASUBFMD-GFCCVEGCSA-N 2 1 223.364 1.987 20 30 BDEDMP C=C(C)[C@H](CO)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000649339464 398156838 /nfs/dbraw/zinc/15/68/38/398156838.db2.gz XGRNNGUWMAEIEN-OLZOCXBDSA-N 2 1 226.364 1.197 20 30 BDEDMP C=C(C)[C@H](CO)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000649339464 398156842 /nfs/dbraw/zinc/15/68/42/398156842.db2.gz XGRNNGUWMAEIEN-OLZOCXBDSA-N 2 1 226.364 1.197 20 30 BDEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000649339464 398156845 /nfs/dbraw/zinc/15/68/45/398156845.db2.gz XGRNNGUWMAEIEN-OLZOCXBDSA-N 2 1 226.364 1.197 20 30 BDEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000649339464 398156848 /nfs/dbraw/zinc/15/68/48/398156848.db2.gz XGRNNGUWMAEIEN-OLZOCXBDSA-N 2 1 226.364 1.197 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]C[C@H]2C[C@@H]2C)CC1 ZINC000309148221 136217752 /nfs/dbraw/zinc/21/77/52/136217752.db2.gz VTEPFWNFMIFFBA-NWDGAFQWSA-N 2 1 208.349 1.882 20 30 BDEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430750229 398230227 /nfs/dbraw/zinc/23/02/27/398230227.db2.gz NBSCNIYAHNVEHT-AGIUHOORSA-N 2 1 235.375 1.999 20 30 BDEDMP C[C@@H]([NH2+]C[C@H](C#N)CCC#N)C1=CC[N@@H+](C)CC1 ZINC000576510969 365613695 /nfs/dbraw/zinc/61/36/95/365613695.db2.gz BNUWJDIUEOGCTE-OLZOCXBDSA-N 2 1 246.358 1.670 20 30 BDEDMP CC#CCC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000248387704 323018364 /nfs/dbraw/zinc/01/83/64/323018364.db2.gz BUNWLJVRMNMZBO-STQMWFEESA-N 2 1 208.349 1.814 20 30 BDEDMP CC#CCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248387704 323018365 /nfs/dbraw/zinc/01/83/65/323018365.db2.gz BUNWLJVRMNMZBO-STQMWFEESA-N 2 1 208.349 1.814 20 30 BDEDMP CC#CCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248387704 323018366 /nfs/dbraw/zinc/01/83/66/323018366.db2.gz BUNWLJVRMNMZBO-STQMWFEESA-N 2 1 208.349 1.814 20 30 BDEDMP CC#CCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248387704 323018367 /nfs/dbraw/zinc/01/83/67/323018367.db2.gz BUNWLJVRMNMZBO-STQMWFEESA-N 2 1 208.349 1.814 20 30 BDEDMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CC#N ZINC000068610137 343228766 /nfs/dbraw/zinc/22/87/66/343228766.db2.gz GNWOPFZBFYWBGB-SNVBAGLBSA-N 2 1 206.293 1.473 20 30 BDEDMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOCCC#N)C1 ZINC000339013185 136279931 /nfs/dbraw/zinc/27/99/31/136279931.db2.gz KEIVMCFVZXOHDN-ZDUSSCGKSA-N 2 1 239.363 1.190 20 30 BDEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOCCC#N)C1 ZINC000339013185 136279932 /nfs/dbraw/zinc/27/99/32/136279932.db2.gz KEIVMCFVZXOHDN-ZDUSSCGKSA-N 2 1 239.363 1.190 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOCCC#N)C1 ZINC000339013185 136279933 /nfs/dbraw/zinc/27/99/33/136279933.db2.gz KEIVMCFVZXOHDN-ZDUSSCGKSA-N 2 1 239.363 1.190 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOCCC#N)C1 ZINC000339013185 136279934 /nfs/dbraw/zinc/27/99/34/136279934.db2.gz KEIVMCFVZXOHDN-ZDUSSCGKSA-N 2 1 239.363 1.190 20 30 BDEDMP C=CCOCC[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000339010292 136280115 /nfs/dbraw/zinc/28/01/15/136280115.db2.gz JJFKOYIOYYKAPH-CQSZACIVSA-N 2 1 240.391 1.853 20 30 BDEDMP C=CCOCC[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000339010292 136280116 /nfs/dbraw/zinc/28/01/16/136280116.db2.gz JJFKOYIOYYKAPH-CQSZACIVSA-N 2 1 240.391 1.853 20 30 BDEDMP C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000678220249 488215800 /nfs/dbraw/zinc/21/58/00/488215800.db2.gz UDIQLUVGXURQSP-ZIAGYGMSSA-N 2 1 238.375 1.341 20 30 BDEDMP C=C(C)[C@@H](CO)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000678220249 488215802 /nfs/dbraw/zinc/21/58/02/488215802.db2.gz UDIQLUVGXURQSP-ZIAGYGMSSA-N 2 1 238.375 1.341 20 30 BDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248164088 345347761 /nfs/dbraw/zinc/34/77/61/345347761.db2.gz SPZGYZBEIGVFSE-QWHCGFSZSA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248164088 345347763 /nfs/dbraw/zinc/34/77/63/345347763.db2.gz SPZGYZBEIGVFSE-QWHCGFSZSA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248164088 345347765 /nfs/dbraw/zinc/34/77/65/345347765.db2.gz SPZGYZBEIGVFSE-QWHCGFSZSA-N 2 1 208.349 1.979 20 30 BDEDMP C#CC[N@H+](C)CCCN[C@@H](C)c1nccnc1C ZINC000295060231 346352195 /nfs/dbraw/zinc/35/21/95/346352195.db2.gz RCZODHCHKMGHOD-LBPRGKRZSA-N 2 1 246.358 1.391 20 30 BDEDMP N#CCCOCC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000590159160 346783126 /nfs/dbraw/zinc/78/31/26/346783126.db2.gz XWETUTIMCDZPDF-CYBMUJFWSA-N 2 1 248.330 1.450 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000378675155 346801985 /nfs/dbraw/zinc/80/19/85/346801985.db2.gz ODPNOHMXKFHTPZ-KGLIPLIRSA-N 2 1 220.360 1.720 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000378675155 346801989 /nfs/dbraw/zinc/80/19/89/346801989.db2.gz ODPNOHMXKFHTPZ-KGLIPLIRSA-N 2 1 220.360 1.720 20 30 BDEDMP C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)C1C[NH2+]C1 ZINC000591573444 347676899 /nfs/dbraw/zinc/67/68/99/347676899.db2.gz XYLPZGHGYOEGNZ-SECBINFHSA-N 2 1 249.745 1.909 20 30 BDEDMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000591581445 347678437 /nfs/dbraw/zinc/67/84/37/347678437.db2.gz WQDYCKOLUPFCCX-UWVGGRQHSA-N 2 1 203.289 1.556 20 30 BDEDMP N#Cc1cnccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000592469542 347789581 /nfs/dbraw/zinc/78/95/81/347789581.db2.gz KTBXQAFERIBAMU-UHFFFAOYSA-N 2 1 230.315 1.124 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623483552 362907785 /nfs/dbraw/zinc/90/77/85/362907785.db2.gz KERAAGPUISINIY-STQMWFEESA-N 2 1 240.391 1.633 20 30 BDEDMP C=CC[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623491370 362916108 /nfs/dbraw/zinc/91/61/08/362916108.db2.gz RCFAYNYCZPZODY-RYUDHWBXSA-N 2 1 226.364 1.386 20 30 BDEDMP C=CC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623491369 362916574 /nfs/dbraw/zinc/91/65/74/362916574.db2.gz RCFAYNYCZPZODY-NWDGAFQWSA-N 2 1 226.364 1.386 20 30 BDEDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595896811 348387235 /nfs/dbraw/zinc/38/72/35/348387235.db2.gz YAIKWCUACZNNNY-SWLSCSKDSA-N 2 1 243.354 1.912 20 30 BDEDMP N#Cc1ccc(CC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000595891522 348390093 /nfs/dbraw/zinc/39/00/93/348390093.db2.gz HSAHMXOWRRBHSV-UHFFFAOYSA-N 2 1 229.327 1.396 20 30 BDEDMP N#Cc1ccc(CC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000595891522 348390095 /nfs/dbraw/zinc/39/00/95/348390095.db2.gz HSAHMXOWRRBHSV-UHFFFAOYSA-N 2 1 229.327 1.396 20 30 BDEDMP C=CCCSCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000596651926 348605885 /nfs/dbraw/zinc/60/58/85/348605885.db2.gz SCONMTRYTUINBB-NEPJUHHUSA-N 2 1 228.405 1.883 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C#N)o1 ZINC000266186333 180260812 /nfs/dbraw/zinc/26/08/12/180260812.db2.gz HETJSKZGRRRNBI-UHFFFAOYSA-N 2 1 230.271 1.446 20 30 BDEDMP CC[NH+](CC)CC1CC[NH+](CCC#N)CC1 ZINC000051908085 350870778 /nfs/dbraw/zinc/87/07/78/350870778.db2.gz ZCTGJRUYXQOZCP-UHFFFAOYSA-N 2 1 223.364 1.954 20 30 BDEDMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000131424141 351124881 /nfs/dbraw/zinc/12/48/81/351124881.db2.gz XLIAPJSVDRBIQQ-RISCZKNCSA-N 2 1 229.327 1.870 20 30 BDEDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(C#N)c1 ZINC000131424141 351124883 /nfs/dbraw/zinc/12/48/83/351124883.db2.gz XLIAPJSVDRBIQQ-RISCZKNCSA-N 2 1 229.327 1.870 20 30 BDEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320362 363039550 /nfs/dbraw/zinc/03/95/50/363039550.db2.gz MQBKTLTURHAKHE-DFBGVHRSSA-N 2 1 241.338 1.770 20 30 BDEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320362 363039553 /nfs/dbraw/zinc/03/95/53/363039553.db2.gz MQBKTLTURHAKHE-DFBGVHRSSA-N 2 1 241.338 1.770 20 30 BDEDMP CC[N@H+]1CC[C@H](N(C)CC2(C#N)CC2)[C@H](C)C1 ZINC000343296476 353407193 /nfs/dbraw/zinc/40/71/93/353407193.db2.gz DGJXSAQJMGDJCD-OLZOCXBDSA-N 2 1 235.375 1.952 20 30 BDEDMP C=CCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420320388 192195428 /nfs/dbraw/zinc/19/54/28/192195428.db2.gz BNBJDBMKJPGFLM-OLZOCXBDSA-N 2 1 208.349 1.884 20 30 BDEDMP C[NH+](C)CCCC1CC[NH+](CCC#N)CC1 ZINC000123544101 358504351 /nfs/dbraw/zinc/50/43/51/358504351.db2.gz ADIGBOVFIYOWIY-UHFFFAOYSA-N 2 1 223.364 1.954 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2C)CC1 ZINC000121044779 134231117 /nfs/dbraw/zinc/23/11/17/134231117.db2.gz DBGJFHBJGJFWBG-GXTWGEPZSA-N 2 1 238.375 1.794 20 30 BDEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCCC#N)CC[C@@H]21 ZINC000129115589 358583769 /nfs/dbraw/zinc/58/37/69/358583769.db2.gz MLXGKGVAULIJDT-STQMWFEESA-N 2 1 221.348 1.706 20 30 BDEDMP C[N@H+]1CCC[C@H]2C[NH+](CCCC#N)CC[C@@H]21 ZINC000129115589 358583762 /nfs/dbraw/zinc/58/37/62/358583762.db2.gz MLXGKGVAULIJDT-STQMWFEESA-N 2 1 221.348 1.706 20 30 BDEDMP C[NH+]1CCC[C@H]2C[N@H+](CCCC#N)CC[C@@H]21 ZINC000129115589 358583765 /nfs/dbraw/zinc/58/37/65/358583765.db2.gz MLXGKGVAULIJDT-STQMWFEESA-N 2 1 221.348 1.706 20 30 BDEDMP C=CCC[C@@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130973748 358655447 /nfs/dbraw/zinc/65/54/47/358655447.db2.gz WFGZFNKEIFGANT-HZSPNIEDSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000130973748 358655448 /nfs/dbraw/zinc/65/54/48/358655448.db2.gz WFGZFNKEIFGANT-HZSPNIEDSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000130973748 358655449 /nfs/dbraw/zinc/65/54/49/358655449.db2.gz WFGZFNKEIFGANT-HZSPNIEDSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000130973748 358655450 /nfs/dbraw/zinc/65/54/50/358655450.db2.gz WFGZFNKEIFGANT-HZSPNIEDSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835001 359225813 /nfs/dbraw/zinc/22/58/13/359225813.db2.gz YZXHZTMWTZPLAI-ZDUSSCGKSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835001 359225819 /nfs/dbraw/zinc/22/58/19/359225819.db2.gz YZXHZTMWTZPLAI-ZDUSSCGKSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CC[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000629552020 361444577 /nfs/dbraw/zinc/44/45/77/361444577.db2.gz YWBZPPCOTHAPOD-QWHCGFSZSA-N 2 1 208.349 1.884 20 30 BDEDMP C=CC[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000629552021 361444705 /nfs/dbraw/zinc/44/47/05/361444705.db2.gz YWBZPPCOTHAPOD-STQMWFEESA-N 2 1 208.349 1.884 20 30 BDEDMP C=CC(C)(C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000385229205 367811088 /nfs/dbraw/zinc/81/10/88/367811088.db2.gz SVUDIJPJXNIJTA-GFCCVEGCSA-N 2 1 226.364 1.243 20 30 BDEDMP C=CC(C)(C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000385229205 367811089 /nfs/dbraw/zinc/81/10/89/367811089.db2.gz SVUDIJPJXNIJTA-GFCCVEGCSA-N 2 1 226.364 1.243 20 30 BDEDMP N#Cc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000107574079 369353746 /nfs/dbraw/zinc/35/37/46/369353746.db2.gz JUMIPCSIWMVVDF-ZIAGYGMSSA-N 2 1 227.311 1.209 20 30 BDEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000600770094 369565105 /nfs/dbraw/zinc/56/51/05/369565105.db2.gz UPUUIQXYVNXURP-LEWSCRJBSA-N 2 1 245.326 1.710 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000600770094 369565109 /nfs/dbraw/zinc/56/51/09/369565109.db2.gz UPUUIQXYVNXURP-LEWSCRJBSA-N 2 1 245.326 1.710 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C[NH3+] ZINC000602023562 369736630 /nfs/dbraw/zinc/73/66/30/369736630.db2.gz XRNDDBNHQKNEIS-SMDDNHRTSA-N 2 1 229.327 1.585 20 30 BDEDMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@H](C)C1 ZINC000424328771 206036962 /nfs/dbraw/zinc/03/69/62/206036962.db2.gz ONBZZLJUEVUHHJ-RQJABVFESA-N 2 1 235.375 1.999 20 30 BDEDMP N#CCCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150793132 384507259 /nfs/dbraw/zinc/50/72/59/384507259.db2.gz UCJGXMCSVHPABQ-ZDUSSCGKSA-N 2 1 221.348 1.708 20 30 BDEDMP N#CCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150793132 384507267 /nfs/dbraw/zinc/50/72/67/384507267.db2.gz UCJGXMCSVHPABQ-ZDUSSCGKSA-N 2 1 221.348 1.708 20 30 BDEDMP C=C(C)COCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090450827 384822426 /nfs/dbraw/zinc/82/24/26/384822426.db2.gz FPEYFCWGWXUOCT-UONOGXRCSA-N 2 1 238.375 1.796 20 30 BDEDMP CCC#C[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000644784141 385163931 /nfs/dbraw/zinc/16/39/31/385163931.db2.gz ICCOQFCYASPWAI-ZIAGYGMSSA-N 2 1 220.360 1.816 20 30 BDEDMP CCC#C[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000644784141 385163936 /nfs/dbraw/zinc/16/39/36/385163936.db2.gz ICCOQFCYASPWAI-ZIAGYGMSSA-N 2 1 220.360 1.816 20 30 BDEDMP CCC#C[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000644784141 385163941 /nfs/dbraw/zinc/16/39/41/385163941.db2.gz ICCOQFCYASPWAI-ZIAGYGMSSA-N 2 1 220.360 1.816 20 30 BDEDMP CCC#C[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000644784141 385163945 /nfs/dbraw/zinc/16/39/45/385163945.db2.gz ICCOQFCYASPWAI-ZIAGYGMSSA-N 2 1 220.360 1.816 20 30 BDEDMP C#CC[N@@H+](C)CCCNc1cc(C)cc[nH+]1 ZINC000292920683 533109842 /nfs/dbraw/zinc/10/98/42/533109842.db2.gz YLNKISUICIMFDO-UHFFFAOYSA-N 2 1 217.316 1.757 20 30 BDEDMP N#CCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000336172915 385492324 /nfs/dbraw/zinc/49/23/24/385492324.db2.gz ARDCBUWDCMJPHT-GXTWGEPZSA-N 2 1 233.359 1.849 20 30 BDEDMP C=CCOc1ccc(C[NH2+][C@@H](C)C[NH3+])cc1 ZINC000414952972 385827328 /nfs/dbraw/zinc/82/73/28/385827328.db2.gz LFAJWBSWHCSQPH-NSHDSACASA-N 2 1 220.316 1.688 20 30 BDEDMP CC#CCN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334421449 386025983 /nfs/dbraw/zinc/02/59/83/386025983.db2.gz UCISTVPKCIRBQA-CYBMUJFWSA-N 2 1 206.333 1.427 20 30 BDEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334421449 386025993 /nfs/dbraw/zinc/02/59/93/386025993.db2.gz UCISTVPKCIRBQA-CYBMUJFWSA-N 2 1 206.333 1.427 20 30 BDEDMP CC#CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334421449 386026014 /nfs/dbraw/zinc/02/60/14/386026014.db2.gz UCISTVPKCIRBQA-CYBMUJFWSA-N 2 1 206.333 1.427 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336738718 386183473 /nfs/dbraw/zinc/18/34/73/386183473.db2.gz ONCOFSRPBGPSIE-RYUDHWBXSA-N 2 1 218.304 1.473 20 30 BDEDMP C[N@@H+](CCCC[NH2+]C[C@@H](C#N)CCC#N)C1CC1 ZINC000571755857 387160594 /nfs/dbraw/zinc/16/05/94/387160594.db2.gz PWFAEAVMHWXHBZ-CYBMUJFWSA-N 2 1 248.374 1.894 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](COC)C(C)C ZINC000327960049 387598811 /nfs/dbraw/zinc/59/88/11/387598811.db2.gz CGKOYYYTIOFHDQ-ZDUSSCGKSA-N 2 1 226.364 1.202 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](COC)C(C)C ZINC000327960049 387598817 /nfs/dbraw/zinc/59/88/17/387598817.db2.gz CGKOYYYTIOFHDQ-ZDUSSCGKSA-N 2 1 226.364 1.202 20 30 BDEDMP C=CCCOCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423011231 387834086 /nfs/dbraw/zinc/83/40/86/387834086.db2.gz IGHPWLCTEOQHSK-NSHDSACASA-N 2 1 235.331 1.737 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000320983634 387884033 /nfs/dbraw/zinc/88/40/33/387884033.db2.gz ACVFWACVCCRMJE-XQQFMLRXSA-N 2 1 208.349 1.576 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000320983634 387884036 /nfs/dbraw/zinc/88/40/36/387884036.db2.gz ACVFWACVCCRMJE-XQQFMLRXSA-N 2 1 208.349 1.576 20 30 BDEDMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000423123031 387903049 /nfs/dbraw/zinc/90/30/49/387903049.db2.gz KSJHAMHXQJFJEM-NEPJUHHUSA-N 2 1 223.364 1.904 20 30 BDEDMP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423153645 387932058 /nfs/dbraw/zinc/93/20/58/387932058.db2.gz NSSXQUQJWKZVOS-BFHYXJOUSA-N 2 1 238.375 1.699 20 30 BDEDMP C#CCN(CC)CC[C@@H]1CCCC[N@H+]1C ZINC000491315170 388284273 /nfs/dbraw/zinc/28/42/73/388284273.db2.gz LEKZHRVHAWWFKK-ZDUSSCGKSA-N 2 1 208.349 1.816 20 30 BDEDMP C#CC[N@H+](CC)CC[C@@H]1CCCC[NH+]1C ZINC000491315170 388284275 /nfs/dbraw/zinc/28/42/75/388284275.db2.gz LEKZHRVHAWWFKK-ZDUSSCGKSA-N 2 1 208.349 1.816 20 30 BDEDMP C#CC[N@@H+](CC)CC[C@@H]1CCCC[NH+]1C ZINC000491315170 388284277 /nfs/dbraw/zinc/28/42/77/388284277.db2.gz LEKZHRVHAWWFKK-ZDUSSCGKSA-N 2 1 208.349 1.816 20 30 BDEDMP C#CC[NH+](CC)CC[C@@H]1CCCC[N@@H+]1C ZINC000491315170 388284278 /nfs/dbraw/zinc/28/42/78/388284278.db2.gz LEKZHRVHAWWFKK-ZDUSSCGKSA-N 2 1 208.349 1.816 20 30 BDEDMP C#CC[NH+](CC)CC[C@@H]1CCCC[N@H+]1C ZINC000491315170 388284280 /nfs/dbraw/zinc/28/42/80/388284280.db2.gz LEKZHRVHAWWFKK-ZDUSSCGKSA-N 2 1 208.349 1.816 20 30 BDEDMP C#C[C@@H](C)N(C)CC(C)C[N@@H+](C)[C@H](C)C#C ZINC000491565577 388304001 /nfs/dbraw/zinc/30/40/01/388304001.db2.gz AJSQIQBAYBRHSE-ZIAGYGMSSA-N 2 1 220.360 1.530 20 30 BDEDMP C#C[C@@H](C)[NH+](C)CC(C)C[N@H+](C)[C@H](C)C#C ZINC000491565577 388304002 /nfs/dbraw/zinc/30/40/02/388304002.db2.gz AJSQIQBAYBRHSE-ZIAGYGMSSA-N 2 1 220.360 1.530 20 30 BDEDMP C#C[C@@H](C)[NH+](C)CC(C)C[N@@H+](C)[C@H](C)C#C ZINC000491565577 388304003 /nfs/dbraw/zinc/30/40/03/388304003.db2.gz AJSQIQBAYBRHSE-ZIAGYGMSSA-N 2 1 220.360 1.530 20 30 BDEDMP C#C[C@H](C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000491694735 388311685 /nfs/dbraw/zinc/31/16/85/388311685.db2.gz GMOJMGNNXSUUQE-NSHDSACASA-N 2 1 205.305 1.306 20 30 BDEDMP C#C[C@H](C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000491694735 388311686 /nfs/dbraw/zinc/31/16/86/388311686.db2.gz GMOJMGNNXSUUQE-NSHDSACASA-N 2 1 205.305 1.306 20 30 BDEDMP C#CC[NH+](C)CCCN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000491209518 388277518 /nfs/dbraw/zinc/27/75/18/388277518.db2.gz IHTAFXLZJTYRIN-DZGCQCFKSA-N 2 1 249.402 1.014 20 30 BDEDMP C#CC[N@@H+](C)CCCN[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000491209518 388277520 /nfs/dbraw/zinc/27/75/20/388277520.db2.gz IHTAFXLZJTYRIN-DZGCQCFKSA-N 2 1 249.402 1.014 20 30 BDEDMP C#CC[N@H+](C)CCCN[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000491209518 388277521 /nfs/dbraw/zinc/27/75/21/388277521.db2.gz IHTAFXLZJTYRIN-DZGCQCFKSA-N 2 1 249.402 1.014 20 30 BDEDMP CC[C@H](CC#N)[NH2+]CCn1cc[nH+]c1C ZINC000308778961 388364011 /nfs/dbraw/zinc/36/40/11/388364011.db2.gz BSUZVDFCXPCQOA-LLVKDONJSA-N 2 1 206.293 1.473 20 30 BDEDMP CC[C@@H](CC#N)[NH2+]CCn1cc[nH+]c1C ZINC000308778962 388364274 /nfs/dbraw/zinc/36/42/74/388364274.db2.gz BSUZVDFCXPCQOA-NSHDSACASA-N 2 1 206.293 1.473 20 30 BDEDMP COc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1C#N ZINC000414884463 388666491 /nfs/dbraw/zinc/66/64/91/388666491.db2.gz FGQWTBIBBUTNFW-CYBMUJFWSA-N 2 1 245.326 1.394 20 30 BDEDMP C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)C1C[NH2+]C1 ZINC000423158761 388688417 /nfs/dbraw/zinc/68/84/17/388688417.db2.gz DEXBTCSAHFDALI-VIFPVBQESA-N 2 1 233.290 1.395 20 30 BDEDMP C=CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367620904 134215758 /nfs/dbraw/zinc/21/57/58/134215758.db2.gz YYYJFNRCRVKORO-MJBXVCDLSA-N 2 1 238.375 1.651 20 30 BDEDMP C=CCSCC[NH2+]C1CC[NH+](C)CC1 ZINC000226319028 134360205 /nfs/dbraw/zinc/36/02/05/134360205.db2.gz ZGAQXWXPBALYIM-UHFFFAOYSA-N 2 1 214.378 1.589 20 30 BDEDMP C=CC[N@H+](CCOC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000234683815 134384735 /nfs/dbraw/zinc/38/47/35/134384735.db2.gz SHBJAAYBJHZGEJ-QWHCGFSZSA-N 2 1 226.364 1.509 20 30 BDEDMP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@H]1[NH3+] ZINC000251552466 135071302 /nfs/dbraw/zinc/07/13/02/135071302.db2.gz BHPQYTVEJRIXQQ-BXUZGUMPSA-N 2 1 229.327 1.727 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1[NH3+] ZINC000251552466 135071304 /nfs/dbraw/zinc/07/13/04/135071304.db2.gz BHPQYTVEJRIXQQ-BXUZGUMPSA-N 2 1 229.327 1.727 20 30 BDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)NC1CCCC1 ZINC000263076964 135124403 /nfs/dbraw/zinc/12/44/03/135124403.db2.gz CNTDEOIEHWMXLP-UHFFFAOYSA-N 2 1 249.362 1.299 20 30 BDEDMP CCNC(N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)=[NH+]CC ZINC000261836205 135256288 /nfs/dbraw/zinc/25/62/88/135256288.db2.gz WBVKUJVWBCSXMB-ZYHUDNBSSA-N 2 1 238.379 1.044 20 30 BDEDMP CC1(C)CCC[N@@H+](CCNC(=[NH2+])N2CCC2)C1 ZINC000263090487 135331627 /nfs/dbraw/zinc/33/16/27/135331627.db2.gz ISSQULLZWCRGKV-UHFFFAOYSA-N 2 1 238.379 1.129 20 30 BDEDMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CC[NH2+]1 ZINC000335384950 136088683 /nfs/dbraw/zinc/08/86/83/136088683.db2.gz ISPRSULPGASORF-RISCZKNCSA-N 2 1 229.327 1.788 20 30 BDEDMP C#C[C@H](C)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000491656021 398055427 /nfs/dbraw/zinc/05/54/27/398055427.db2.gz CXULAWYMYLVYAX-ZDUSSCGKSA-N 2 1 208.349 1.816 20 30 BDEDMP C#C[C@H](C)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000491656021 398055431 /nfs/dbraw/zinc/05/54/31/398055431.db2.gz CXULAWYMYLVYAX-ZDUSSCGKSA-N 2 1 208.349 1.816 20 30 BDEDMP C=CCOCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000302387512 411137294 /nfs/dbraw/zinc/13/72/94/411137294.db2.gz MRRKOIHOINVCEV-KGLIPLIRSA-N 2 1 232.327 1.923 20 30 BDEDMP C=CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652360128 411218185 /nfs/dbraw/zinc/21/81/85/411218185.db2.gz BDEXBCOJNDCVHY-XQQFMLRXSA-N 2 1 224.348 1.533 20 30 BDEDMP C=CCOCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657659214 411572300 /nfs/dbraw/zinc/57/23/00/411572300.db2.gz RMQVGXOJFXASKO-KBPBESRZSA-N 2 1 238.375 1.796 20 30 BDEDMP C=CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291886 412081977 /nfs/dbraw/zinc/08/19/77/412081977.db2.gz AKCNNGVLOQHHAK-CYBMUJFWSA-N 2 1 208.349 1.884 20 30 BDEDMP C=C(C)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318159 412098137 /nfs/dbraw/zinc/09/81/37/412098137.db2.gz WOTUXHJALVDZQV-CYBMUJFWSA-N 2 1 226.364 1.605 20 30 BDEDMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000040592093 173379127 /nfs/dbraw/zinc/37/91/27/173379127.db2.gz LOXOKPGZUSTGCG-OAHLLOKOSA-N 2 1 243.354 1.990 20 30 BDEDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000040592093 173379128 /nfs/dbraw/zinc/37/91/28/173379128.db2.gz LOXOKPGZUSTGCG-OAHLLOKOSA-N 2 1 243.354 1.990 20 30 BDEDMP COc1ccc(C[NH2+]CCC[NH+](C)C)cc1C#N ZINC000087822427 175106650 /nfs/dbraw/zinc/10/66/50/175106650.db2.gz HUOOQAPDQDLLML-UHFFFAOYSA-N 2 1 247.342 1.608 20 30 BDEDMP C[C@@]1(C#N)CC[N@@H+](CCCCCC[NH3+])C1 ZINC000852761048 588700774 /nfs/dbraw/zinc/70/07/74/588700774.db2.gz PPGZBXYZHZDPDH-LBPRGKRZSA-N 2 1 209.337 1.741 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000535758005 323190605 /nfs/dbraw/zinc/19/06/05/323190605.db2.gz OQKFYGUNJWALBI-OLZOCXBDSA-N 2 1 249.358 1.537 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H](C)CC ZINC000328234439 324272808 /nfs/dbraw/zinc/27/28/08/324272808.db2.gz FFIVSWJDQDWLNM-STQMWFEESA-N 2 1 210.365 1.966 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H](C)CC ZINC000328234439 324272804 /nfs/dbraw/zinc/27/28/04/324272804.db2.gz FFIVSWJDQDWLNM-STQMWFEESA-N 2 1 210.365 1.966 20 30 BDEDMP C=CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363415005 534854963 /nfs/dbraw/zinc/85/49/63/534854963.db2.gz SWIKDAFOAJUQGC-UPJWGTAASA-N 2 1 206.333 1.589 20 30 BDEDMP C=CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363415005 534854967 /nfs/dbraw/zinc/85/49/67/534854967.db2.gz SWIKDAFOAJUQGC-UPJWGTAASA-N 2 1 206.333 1.589 20 30 BDEDMP C=CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363415005 534854969 /nfs/dbraw/zinc/85/49/69/534854969.db2.gz SWIKDAFOAJUQGC-UPJWGTAASA-N 2 1 206.333 1.589 20 30 BDEDMP C=CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363415005 534854972 /nfs/dbraw/zinc/85/49/72/534854972.db2.gz SWIKDAFOAJUQGC-UPJWGTAASA-N 2 1 206.333 1.589 20 30 BDEDMP C=CCSCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400658496 527005609 /nfs/dbraw/zinc/00/56/09/527005609.db2.gz RIGKQAGNRLGYNA-QWRGUYRKSA-N 2 1 214.378 1.636 20 30 BDEDMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])NC2CC2)C1 ZINC000262397686 535133142 /nfs/dbraw/zinc/13/31/42/535133142.db2.gz NEOLESDFQXGTOQ-LLVKDONJSA-N 2 1 238.379 1.031 20 30 BDEDMP C[C@H](CNC(=[NH2+])N1CCCCC1)[N@@H+](C)C1CC1 ZINC000104193012 583163258 /nfs/dbraw/zinc/16/32/58/583163258.db2.gz LSBOUCKOIPIBJO-LLVKDONJSA-N 2 1 238.379 1.270 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000894863429 583535978 /nfs/dbraw/zinc/53/59/78/583535978.db2.gz CINWIFNGMLOMPP-GHMZBOCLSA-N 2 1 230.302 1.575 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000894863429 583535979 /nfs/dbraw/zinc/53/59/79/583535979.db2.gz CINWIFNGMLOMPP-GHMZBOCLSA-N 2 1 230.302 1.575 20 30 BDEDMP C#CC[N@H+](CC1CC[NH+](C)CC1)C1CSC1 ZINC000895813818 583734016 /nfs/dbraw/zinc/73/40/16/583734016.db2.gz IQBIWNTVMVFYRP-UHFFFAOYSA-N 2 1 238.400 1.379 20 30 BDEDMP CCO[C@H](C[NH2+]C[C@@H](C)CCC#N)C[NH+](C)C ZINC000896880317 583845264 /nfs/dbraw/zinc/84/52/64/583845264.db2.gz UIWJVGKCSRHAHI-QWHCGFSZSA-N 2 1 241.379 1.483 20 30 BDEDMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(C#N)cc1 ZINC000902412803 584582671 /nfs/dbraw/zinc/58/26/71/584582671.db2.gz FKEKMBWSBFYHFT-SNVBAGLBSA-N 2 1 215.300 1.700 20 30 BDEDMP C=CCCC[N@H+](CC)C[C@@](C)(O)C[NH2+]C ZINC000903850713 584807892 /nfs/dbraw/zinc/80/78/92/584807892.db2.gz XSEDLAWTVJACJX-LBPRGKRZSA-N 2 1 214.353 1.245 20 30 BDEDMP C=CCCC[N@H+](CC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903850540 584807945 /nfs/dbraw/zinc/80/79/45/584807945.db2.gz UFUVHWSXZUFZIF-ZDUSSCGKSA-N 2 1 238.375 1.653 20 30 BDEDMP C#CCC[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000760841757 585398878 /nfs/dbraw/zinc/39/88/78/585398878.db2.gz RXDNXZBFIGQTAT-ZDUSSCGKSA-N 2 1 208.349 1.673 20 30 BDEDMP C#CCOCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000761107799 585409722 /nfs/dbraw/zinc/40/97/22/585409722.db2.gz IAPUUJYPWFASDA-AWEZNQCLSA-N 2 1 238.375 1.442 20 30 BDEDMP C#CCOCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000761107799 585409723 /nfs/dbraw/zinc/40/97/23/585409723.db2.gz IAPUUJYPWFASDA-AWEZNQCLSA-N 2 1 238.375 1.442 20 30 BDEDMP C#CCOCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000761107799 585409724 /nfs/dbraw/zinc/40/97/24/585409724.db2.gz IAPUUJYPWFASDA-AWEZNQCLSA-N 2 1 238.375 1.442 20 30 BDEDMP C#CCOCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000761107799 585409725 /nfs/dbraw/zinc/40/97/25/585409725.db2.gz IAPUUJYPWFASDA-AWEZNQCLSA-N 2 1 238.375 1.442 20 30 BDEDMP C#CC[N@H+](C)CCCNc1nc(C)[nH+]c(C)c1C ZINC000814928941 586652676 /nfs/dbraw/zinc/65/26/76/586652676.db2.gz NWUPIYCDJVACFQ-UHFFFAOYSA-N 2 1 246.358 1.769 20 30 BDEDMP C#CC[N@@H+](C)CCCNc1nc(C)[nH+]c(C)c1C ZINC000814928941 586652678 /nfs/dbraw/zinc/65/26/78/586652678.db2.gz NWUPIYCDJVACFQ-UHFFFAOYSA-N 2 1 246.358 1.769 20 30 BDEDMP C=C(C)CNC(=[NH2+])NCCCC[N@H+](C)C1CC1 ZINC000849039731 588447289 /nfs/dbraw/zinc/44/72/89/588447289.db2.gz PIZHMYKAZLDLGA-UHFFFAOYSA-N 2 1 238.379 1.551 20 30 BDEDMP C#CCOCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000851744496 588621682 /nfs/dbraw/zinc/62/16/82/588621682.db2.gz HFFVOYWZRMZKLY-UHFFFAOYSA-N 2 1 238.375 1.441 20 30 BDEDMP C#CCOCC[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000851797451 588629733 /nfs/dbraw/zinc/62/97/33/588629733.db2.gz QYQDBJIQAUWYGA-UHFFFAOYSA-N 2 1 238.375 1.442 20 30 BDEDMP C#CCOCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000851796412 588629819 /nfs/dbraw/zinc/62/98/19/588629819.db2.gz DLEQTCDFWFLGJH-UHFFFAOYSA-N 2 1 224.348 1.052 20 30 BDEDMP C#CCOCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000851796412 588629820 /nfs/dbraw/zinc/62/98/20/588629820.db2.gz DLEQTCDFWFLGJH-UHFFFAOYSA-N 2 1 224.348 1.052 20 30 BDEDMP C#CCSCC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000119100705 589242302 /nfs/dbraw/zinc/24/23/02/589242302.db2.gz UXOWSGQBGWNRRL-CHWSQXEVSA-N 2 1 240.416 1.673 20 30 BDEDMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC000866585722 589501971 /nfs/dbraw/zinc/50/19/71/589501971.db2.gz SVOJRYFLNBOPDO-DGAVXFQQSA-N 2 1 233.359 1.705 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC000866585722 589501972 /nfs/dbraw/zinc/50/19/72/589501972.db2.gz SVOJRYFLNBOPDO-DGAVXFQQSA-N 2 1 233.359 1.705 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC000866585722 589501973 /nfs/dbraw/zinc/50/19/73/589501973.db2.gz SVOJRYFLNBOPDO-DGAVXFQQSA-N 2 1 233.359 1.705 20 30 BDEDMP C=C(Cl)C[C@@H]([NH3+])c1nc(C[C@H](C)[NH2+]C)no1 ZINC000871787809 589818891 /nfs/dbraw/zinc/81/88/91/589818891.db2.gz ASTWUZDZZMMFLB-JGVFFNPUSA-N 2 1 244.726 1.362 20 30 BDEDMP C=C(Cl)C[C@H]([NH3+])c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000871787810 589819373 /nfs/dbraw/zinc/81/93/73/589819373.db2.gz ASTWUZDZZMMFLB-SFYZADRCSA-N 2 1 244.726 1.362 20 30 BDEDMP C#CCOCC[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000879286129 590727739 /nfs/dbraw/zinc/72/77/39/590727739.db2.gz KZKUIEWKUOEVBX-UHFFFAOYSA-N 2 1 238.375 1.442 20 30 BDEDMP C=CC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880262667 590980401 /nfs/dbraw/zinc/98/04/01/590980401.db2.gz RRDINYCDBFUVDL-LBPRGKRZSA-N 2 1 217.316 1.778 20 30 BDEDMP C=C(CC)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000313489337 634476554 /nfs/dbraw/zinc/47/65/54/634476554.db2.gz RRAGZUUYZJALHB-NWBUJAPZSA-N 2 1 206.333 1.539 20 30 BDEDMP Cc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000104172166 634567923 /nfs/dbraw/zinc/56/79/23/634567923.db2.gz HUUNXKKKRWQXRW-LBPRGKRZSA-N 2 1 246.358 1.673 20 30 BDEDMP C=CC[N@@H+](CCOC)C[C@]1(C)CC[NH2+]C1 ZINC000234688908 631450185 /nfs/dbraw/zinc/45/01/85/631450185.db2.gz MWLZQGDBZPISCK-GFCCVEGCSA-N 2 1 212.337 1.120 20 30 BDEDMP C=CC[N@H+](CCOC)C[C@]1(C)CC[NH2+]C1 ZINC000234688908 631450194 /nfs/dbraw/zinc/45/01/94/631450194.db2.gz MWLZQGDBZPISCK-GFCCVEGCSA-N 2 1 212.337 1.120 20 30 BDEDMP C[C@@H](C#N)C[N@@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000892193334 631769677 /nfs/dbraw/zinc/76/96/77/631769677.db2.gz DLPKKTYANBWWOX-LBPRGKRZSA-N 2 1 235.375 1.952 20 30 BDEDMP C#C[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000309020324 632617655 /nfs/dbraw/zinc/61/76/55/632617655.db2.gz WPGPSBJDWYEODS-LLVKDONJSA-N 2 1 208.349 1.861 20 30 BDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C ZINC000170911000 633177471 /nfs/dbraw/zinc/17/74/71/633177471.db2.gz JORSFLCRDMKEOK-LLVKDONJSA-N 2 1 240.395 1.421 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H]1CC=CCC1 ZINC000327981312 633198380 /nfs/dbraw/zinc/19/83/80/633198380.db2.gz ACUKYDOBRHQKKX-CQSZACIVSA-N 2 1 220.360 1.887 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H]1CC=CCC1 ZINC000327981312 633198386 /nfs/dbraw/zinc/19/83/86/633198386.db2.gz ACUKYDOBRHQKKX-CQSZACIVSA-N 2 1 220.360 1.887 20 30 BDEDMP C#CC[N@@H+](C)CCCNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000328059777 633228490 /nfs/dbraw/zinc/22/84/90/633228490.db2.gz BBKGDCSRGGKDOB-GOOCMWNKSA-N 2 1 249.402 1.156 20 30 BDEDMP C#CC[NH+](C)CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000328059777 633228492 /nfs/dbraw/zinc/22/84/92/633228492.db2.gz BBKGDCSRGGKDOB-GOOCMWNKSA-N 2 1 249.402 1.156 20 30 BDEDMP C#CC[NH+](C)CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000328059777 633228497 /nfs/dbraw/zinc/22/84/97/633228497.db2.gz BBKGDCSRGGKDOB-GOOCMWNKSA-N 2 1 249.402 1.156 20 30 BDEDMP C#CCN(C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000328059777 633228499 /nfs/dbraw/zinc/22/84/99/633228499.db2.gz BBKGDCSRGGKDOB-GOOCMWNKSA-N 2 1 249.402 1.156 20 30 BDEDMP C#CCN(C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000328059777 633228506 /nfs/dbraw/zinc/22/85/06/633228506.db2.gz BBKGDCSRGGKDOB-GOOCMWNKSA-N 2 1 249.402 1.156 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000328060554 633228836 /nfs/dbraw/zinc/22/88/36/633228836.db2.gz BGIRHOREPIBDRF-UONOGXRCSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000328060554 633228837 /nfs/dbraw/zinc/22/88/37/633228837.db2.gz BGIRHOREPIBDRF-UONOGXRCSA-N 2 1 238.375 1.489 20 30 BDEDMP CC[N@@H+](CCNC(=[NH2+])NC(C)(C)C)C(C)C ZINC000303981987 636320411 /nfs/dbraw/zinc/32/04/11/636320411.db2.gz PSTMZMGCARRRIC-UHFFFAOYSA-N 2 1 228.384 1.420 20 30 BDEDMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC000931438851 640203295 /nfs/dbraw/zinc/20/32/95/640203295.db2.gz QFUJXSVRHQJVJV-RFQIPJPRSA-N 2 1 233.359 1.562 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC000931438851 640203301 /nfs/dbraw/zinc/20/33/01/640203301.db2.gz QFUJXSVRHQJVJV-RFQIPJPRSA-N 2 1 233.359 1.562 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC000931438851 640203307 /nfs/dbraw/zinc/20/33/07/640203307.db2.gz QFUJXSVRHQJVJV-RFQIPJPRSA-N 2 1 233.359 1.562 20 30 BDEDMP C=CCOCC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933734475 640760497 /nfs/dbraw/zinc/76/04/97/640760497.db2.gz TXHGTZGOOIRSLW-OLZOCXBDSA-N 2 1 224.348 1.073 20 30 BDEDMP C=CCOCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933734475 640760504 /nfs/dbraw/zinc/76/05/04/640760504.db2.gz TXHGTZGOOIRSLW-OLZOCXBDSA-N 2 1 224.348 1.073 20 30 BDEDMP C=CCOCC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734475 640760508 /nfs/dbraw/zinc/76/05/08/640760508.db2.gz TXHGTZGOOIRSLW-OLZOCXBDSA-N 2 1 224.348 1.073 20 30 BDEDMP C=CCOCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734475 640760513 /nfs/dbraw/zinc/76/05/13/640760513.db2.gz TXHGTZGOOIRSLW-OLZOCXBDSA-N 2 1 224.348 1.073 20 30 BDEDMP C=CCCC[N@@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000934649658 641233844 /nfs/dbraw/zinc/23/38/44/641233844.db2.gz WMRMPFDNXVJDFD-AWEZNQCLSA-N 2 1 240.391 1.731 20 30 BDEDMP C=CCCC[N@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000934649658 641233848 /nfs/dbraw/zinc/23/38/48/641233848.db2.gz WMRMPFDNXVJDFD-AWEZNQCLSA-N 2 1 240.391 1.731 20 30 BDEDMP C=CCC[C@H](O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000923336998 644356157 /nfs/dbraw/zinc/35/61/57/644356157.db2.gz WGPBVRCGXPMAAM-KGLIPLIRSA-N 2 1 240.391 1.778 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000923343038 644363317 /nfs/dbraw/zinc/36/33/17/644363317.db2.gz BFMAZFVGGRYVDQ-RWMBFGLXSA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923366296 644378139 /nfs/dbraw/zinc/37/81/39/644378139.db2.gz JPKFYIOMRIJGOV-UONOGXRCSA-N 2 1 238.375 1.389 20 30 BDEDMP C=CCC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923398517 644404546 /nfs/dbraw/zinc/40/45/46/644404546.db2.gz KRQPBTJGUCMUMR-NEPJUHHUSA-N 2 1 224.348 1.188 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[NH2+]CCC1(C)C ZINC000923414207 644416296 /nfs/dbraw/zinc/41/62/96/644416296.db2.gz KUEGWGREBUTUOR-LBPRGKRZSA-N 2 1 226.364 1.387 20 30 BDEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923516369 644478911 /nfs/dbraw/zinc/47/89/11/644478911.db2.gz BEHKQGFREGTWQT-LSDHHAIUSA-N 2 1 241.338 1.600 20 30 BDEDMP CCNC(NC[C@@H]1CC[N@H+](C2CC2)C1)=[NH+]CC ZINC000303251429 644811319 /nfs/dbraw/zinc/81/13/19/644811319.db2.gz ALWCOLDYPWHCBM-NSHDSACASA-N 2 1 238.379 1.046 20 30 BDEDMP CNC(NCCCC[N@H+]1CCCC[C@@H]1C)=[NH+]C ZINC000303267731 644814725 /nfs/dbraw/zinc/81/47/25/644814725.db2.gz XMNBIOPSFSWQIF-LBPRGKRZSA-N 2 1 240.395 1.436 20 30 BDEDMP CCCCNC(=[NH2+])NCC[N@H+]1CCC[C@@H](C)C1 ZINC000303873633 644852917 /nfs/dbraw/zinc/85/29/17/644852917.db2.gz CQFGANCAYGREMW-GFCCVEGCSA-N 2 1 240.395 1.423 20 30 BDEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000303873279 644853020 /nfs/dbraw/zinc/85/30/20/644853020.db2.gz CKSKQENPHWQLDD-LBPRGKRZSA-N 2 1 238.379 1.129 20 30 BDEDMP CC[N@@H+](CCNC(=[NH2+])NCC1CCC1)C1CC1 ZINC000303974563 644861563 /nfs/dbraw/zinc/86/15/63/644861563.db2.gz IAGRIVLSTWALOD-UHFFFAOYSA-N 2 1 238.379 1.175 20 30 BDEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NCC1CCC1 ZINC000303982504 644862742 /nfs/dbraw/zinc/86/27/42/644862742.db2.gz QEDVGERKSXDAPD-NSHDSACASA-N 2 1 240.395 1.421 20 30 BDEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NCC(C)C ZINC000304764628 644933353 /nfs/dbraw/zinc/93/33/53/644933353.db2.gz YGTLVTWQFYVPLP-GFCCVEGCSA-N 2 1 240.395 1.421 20 30 BDEDMP C=C(Cl)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000852749313 645487235 /nfs/dbraw/zinc/48/72/35/645487235.db2.gz KJCJFEMFXUIMSU-LLVKDONJSA-N 2 1 244.766 1.426 20 30 BDEDMP C=C(Cl)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000852749313 645487241 /nfs/dbraw/zinc/48/72/41/645487241.db2.gz KJCJFEMFXUIMSU-LLVKDONJSA-N 2 1 244.766 1.426 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925707750 646433057 /nfs/dbraw/zinc/43/30/57/646433057.db2.gz RKBYTQYPBPSLNB-CYDGBPFRSA-N 2 1 224.348 1.308 20 30 BDEDMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(CC#N)CC1 ZINC000926347556 646621813 /nfs/dbraw/zinc/62/18/13/646621813.db2.gz ZVPJFEXRSILALD-FUNVUKJBSA-N 2 1 233.359 1.610 20 30 BDEDMP C#CCC[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000715178176 712513312 /nfs/dbraw/zinc/51/33/12/712513312.db2.gz JQEJXAVYPAGPRK-UHFFFAOYSA-N 2 1 208.349 1.816 20 30 BDEDMP C=CC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720869134 712872228 /nfs/dbraw/zinc/87/22/28/712872228.db2.gz CNOIGTJAARIPEO-YUMQZZPRSA-N 2 1 208.227 1.241 20 30 BDEDMP C=CC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720869134 712872229 /nfs/dbraw/zinc/87/22/29/712872229.db2.gz CNOIGTJAARIPEO-YUMQZZPRSA-N 2 1 208.227 1.241 20 30 BDEDMP C=CCCC[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205663357 967752342 /nfs/dbraw/zinc/75/23/42/967752342.db2.gz HYQORRPSPAPHGM-LBPRGKRZSA-N 2 1 212.337 1.128 20 30 BDEDMP C=C[C@@](C)(O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001252558930 968804152 /nfs/dbraw/zinc/80/41/52/968804152.db2.gz KLKQHHRRYJKADC-CYBMUJFWSA-N 2 1 238.375 1.341 20 30 BDEDMP C=CCCCC[N@H+](C)C[C@@H](O)C[NH+](CC)CC ZINC001253195896 969108116 /nfs/dbraw/zinc/10/81/16/969108116.db2.gz SBNGRIPCKKYJOZ-CQSZACIVSA-N 2 1 242.407 1.977 20 30 BDEDMP C#C[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](CC)CC)C1 ZINC001253187823 969109293 /nfs/dbraw/zinc/10/92/93/969109293.db2.gz JQFTWLHUHGDSHN-UONOGXRCSA-N 2 1 238.375 1.034 20 30 BDEDMP C#C[C@H]1CCC[N@H+](C[C@H](O)C[NH+](CC)CC)C1 ZINC001253187823 969109298 /nfs/dbraw/zinc/10/92/98/969109298.db2.gz JQFTWLHUHGDSHN-UONOGXRCSA-N 2 1 238.375 1.034 20 30 BDEDMP C#CC1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC001169262343 969517937 /nfs/dbraw/zinc/51/79/37/969517937.db2.gz YXLDVEILMIMAFW-UHFFFAOYSA-N 2 1 220.360 1.816 20 30 BDEDMP CCCCCCCOC(=O)NCC[NH2+]CC[NH3+] ZINC001239323863 980533752 /nfs/dbraw/zinc/53/37/52/980533752.db2.gz LPLCNYUCKCGSLS-UHFFFAOYSA-N 2 1 245.367 1.231 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CCCC#N ZINC001172479680 974779236 /nfs/dbraw/zinc/77/92/36/974779236.db2.gz JKBKXFXGXOEPKZ-LLVKDONJSA-N 2 1 220.320 1.864 20 30 BDEDMP N#CC1CCC([N@@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC001256953185 971026347 /nfs/dbraw/zinc/02/63/47/971026347.db2.gz CTDVVTAKVFAYII-MOENNCHZSA-N 2 1 207.321 1.492 20 30 BDEDMP N#CC1CCC([N@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC001256953185 971026358 /nfs/dbraw/zinc/02/63/58/971026358.db2.gz CTDVVTAKVFAYII-MOENNCHZSA-N 2 1 207.321 1.492 20 30 BDEDMP C[C@@H]1C[C@@H]([NH2+]CC#CC(C)(C)C)CC[NH2+]1 ZINC001246325176 972284355 /nfs/dbraw/zinc/28/43/55/972284355.db2.gz JARGTPIRUWPGEV-NEPJUHHUSA-N 2 1 208.349 1.766 20 30 BDEDMP C[C@H]1C[C@H]([NH2+]CC#CC(C)(C)C)CC[NH2+]1 ZINC001246325210 972286625 /nfs/dbraw/zinc/28/66/25/972286625.db2.gz JARGTPIRUWPGEV-NWDGAFQWSA-N 2 1 208.349 1.766 20 30 BDEDMP Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708838016 959862221 /nfs/dbraw/zinc/86/22/21/959862221.db2.gz UGKLALGSCBTMMI-SWLSCSKDSA-N 2 1 243.354 1.893 20 30 BDEDMP C#C[C@@](C)(CC)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000692596176 960333499 /nfs/dbraw/zinc/33/34/99/960333499.db2.gz VSUMNCXXYBLROW-STQMWFEESA-N 2 1 208.349 1.862 20 30 BDEDMP C[N@H+]1CC[C@@H]2C[NH+](CCC(C)(C)C#N)C[C@@H]2C1 ZINC000310389514 962858930 /nfs/dbraw/zinc/85/89/30/962858930.db2.gz IOTUUZPCHBZYFO-OLZOCXBDSA-N 2 1 235.375 1.810 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@H+](CCC(C)(C)C#N)C[C@@H]2C1 ZINC000310389514 962858935 /nfs/dbraw/zinc/85/89/35/962858935.db2.gz IOTUUZPCHBZYFO-OLZOCXBDSA-N 2 1 235.375 1.810 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(C)(C)C#N)C[C@@H]2C1 ZINC000310389514 962858941 /nfs/dbraw/zinc/85/89/41/962858941.db2.gz IOTUUZPCHBZYFO-OLZOCXBDSA-N 2 1 235.375 1.810 20 30 BDEDMP C=C(C)CNc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001163374266 965379410 /nfs/dbraw/zinc/37/94/10/965379410.db2.gz NSYMMPRCCSZYQR-UHFFFAOYSA-N 2 1 247.346 1.392 20 30 BDEDMP Cn1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1C#N ZINC001205094232 965726147 /nfs/dbraw/zinc/72/61/47/965726147.db2.gz KNRBKBARGDMFHI-GFCCVEGCSA-N 2 1 232.331 1.210 20 30 BDEDMP Cn1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1C#N ZINC001205094232 965726152 /nfs/dbraw/zinc/72/61/52/965726152.db2.gz KNRBKBARGDMFHI-GFCCVEGCSA-N 2 1 232.331 1.210 20 30 BDEDMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(C#N)nc2)CC1 ZINC001205274055 967466533 /nfs/dbraw/zinc/46/65/33/967466533.db2.gz SPMRODMHJBYCTF-CQSZACIVSA-N 2 1 244.342 1.657 20 30 BDEDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(C#N)nc2)CC1 ZINC001205274055 967466551 /nfs/dbraw/zinc/46/65/51/967466551.db2.gz SPMRODMHJBYCTF-CQSZACIVSA-N 2 1 244.342 1.657 20 30 BDEDMP C[C@@H]1CC[N@@H+](Cc2[nH]ccc2C#N)CC[C@H]1C[NH3+] ZINC001205638059 967735767 /nfs/dbraw/zinc/73/57/67/967735767.db2.gz KVNFMZUYSTVTAH-NEPJUHHUSA-N 2 1 246.358 1.693 20 30 BDEDMP C#CCCC[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206540186 968367437 /nfs/dbraw/zinc/36/74/37/968367437.db2.gz BBHAJSLHFPHXFK-ZDUSSCGKSA-N 2 1 208.349 1.851 20 30 BDEDMP C[NH+]1CCC(C)(C[N@H+]2CC[C@](C)(C#N)C2)CC1 ZINC001208110811 969007670 /nfs/dbraw/zinc/00/76/70/969007670.db2.gz GTIXVHOKYHAABQ-CQSZACIVSA-N 2 1 235.375 1.954 20 30 BDEDMP C=C(C)C[N@@H+](CC)C[C@H](O)C[NH+](CC)CC ZINC001253188022 969107492 /nfs/dbraw/zinc/10/74/92/969107492.db2.gz NFONXIIUWBJGOF-CYBMUJFWSA-N 2 1 228.380 1.587 20 30 BDEDMP C=C(C)C[N@H+](CC)C[C@H](O)C[NH+](CC)CC ZINC001253188022 969107499 /nfs/dbraw/zinc/10/74/99/969107499.db2.gz NFONXIIUWBJGOF-CYBMUJFWSA-N 2 1 228.380 1.587 20 30 BDEDMP C#C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253394631 969154590 /nfs/dbraw/zinc/15/45/90/969154590.db2.gz OXSMYABGHIFGDU-CHWSQXEVSA-N 2 1 238.375 1.081 20 30 BDEDMP C#C[C@@H]1CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253394631 969154594 /nfs/dbraw/zinc/15/45/94/969154594.db2.gz OXSMYABGHIFGDU-CHWSQXEVSA-N 2 1 238.375 1.081 20 30 BDEDMP C#C[C@H]1CCC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208608420 969166392 /nfs/dbraw/zinc/16/63/92/969166392.db2.gz IYXVJWDNVKMOPI-KBPBESRZSA-N 2 1 220.360 1.673 20 30 BDEDMP C#C[C@H]1CCC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208608420 969166397 /nfs/dbraw/zinc/16/63/97/969166397.db2.gz IYXVJWDNVKMOPI-KBPBESRZSA-N 2 1 220.360 1.673 20 30 BDEDMP C#C[C@H]1CCC[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208608420 969166401 /nfs/dbraw/zinc/16/64/01/969166401.db2.gz IYXVJWDNVKMOPI-KBPBESRZSA-N 2 1 220.360 1.673 20 30 BDEDMP C=C[C@@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001253568252 969238930 /nfs/dbraw/zinc/23/89/30/969238930.db2.gz ZFSLCIZLNOSHHE-CYBMUJFWSA-N 2 1 224.348 1.094 20 30 BDEDMP C=C[C@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001253587255 969270730 /nfs/dbraw/zinc/27/07/30/969270730.db2.gz JWFHCPGTADNHFO-ZDUSSCGKSA-N 2 1 238.375 1.484 20 30 BDEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCC#N)C2 ZINC001169100745 969396496 /nfs/dbraw/zinc/39/64/96/969396496.db2.gz MHPQIADTSBEVSN-CNDDSTCGSA-N 2 1 207.321 1.505 20 30 BDEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCS)C2 ZINC001169107631 969450211 /nfs/dbraw/zinc/45/02/11/969450211.db2.gz IMKBORAWDSBDQT-RTCCRHLQSA-N 2 1 214.378 1.521 20 30 BDEDMP C#CC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169155407 969470979 /nfs/dbraw/zinc/47/09/79/969470979.db2.gz OVXPFBNDYGKIJM-QDMKHBRRSA-N 2 1 232.371 1.957 20 30 BDEDMP C=CC[N@H+](C)CCN(CC)CC[NH+]1CCCC1 ZINC001169843282 969871434 /nfs/dbraw/zinc/87/14/34/969871434.db2.gz BJZCLRDAXGOLAX-UHFFFAOYSA-N 2 1 239.407 1.522 20 30 BDEDMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C1CCC(C#N)CC1 ZINC001246551520 972730822 /nfs/dbraw/zinc/73/08/22/972730822.db2.gz SJCJVBRMEHAXKO-HBIQZDMRSA-N 2 1 207.321 1.490 20 30 BDEDMP C[C@@H](CCCC#N)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246562021 972796187 /nfs/dbraw/zinc/79/61/87/972796187.db2.gz HNSMDSLLECFQFG-WOPDTQHZSA-N 2 1 209.337 1.738 20 30 BDEDMP C[C@@H](CCCC#N)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246562021 972796197 /nfs/dbraw/zinc/79/61/97/972796197.db2.gz HNSMDSLLECFQFG-WOPDTQHZSA-N 2 1 209.337 1.738 20 30 BDEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]C(C)(C)C[NH3+] ZINC001171178000 972807005 /nfs/dbraw/zinc/80/70/05/972807005.db2.gz BZRBOWBVJXZGIV-LLVKDONJSA-N 2 1 231.343 1.816 20 30 BDEDMP CC1(C#N)CCC([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246854969 973174554 /nfs/dbraw/zinc/17/45/54/973174554.db2.gz RRAFCPXBAWJHTP-GFJIZPEISA-N 2 1 233.359 1.882 20 30 BDEDMP N#CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC001329022775 973432489 /nfs/dbraw/zinc/43/24/89/973432489.db2.gz DWXQHNZIINPLJC-KBPBESRZSA-N 2 1 245.326 1.558 20 30 BDEDMP C=CCCC[N@@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206156701 974329401 /nfs/dbraw/zinc/32/94/01/974329401.db2.gz SCGYBMNVRSCLTG-QWRGUYRKSA-N 2 1 200.301 1.714 20 30 BDEDMP C=CCCC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156701 974329408 /nfs/dbraw/zinc/32/94/08/974329408.db2.gz SCGYBMNVRSCLTG-QWRGUYRKSA-N 2 1 200.301 1.714 20 30 BDEDMP C=CCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156701 974329415 /nfs/dbraw/zinc/32/94/15/974329415.db2.gz SCGYBMNVRSCLTG-QWRGUYRKSA-N 2 1 200.301 1.714 20 30 BDEDMP C#CC[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124631 974350062 /nfs/dbraw/zinc/35/00/62/974350062.db2.gz MFAVXHJSCNUYPD-ITGUQSILSA-N 2 1 206.333 1.567 20 30 BDEDMP C#CC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172124631 974350073 /nfs/dbraw/zinc/35/00/73/974350073.db2.gz MFAVXHJSCNUYPD-ITGUQSILSA-N 2 1 206.333 1.567 20 30 BDEDMP C#CC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172124631 974350080 /nfs/dbraw/zinc/35/00/80/974350080.db2.gz MFAVXHJSCNUYPD-ITGUQSILSA-N 2 1 206.333 1.567 20 30 BDEDMP CC1(C#N)CCC([NH2+]C2(C[NH3+])CC2)CC1 ZINC001173593321 975458948 /nfs/dbraw/zinc/45/89/48/975458948.db2.gz MYODRCQBQBQPLK-UHFFFAOYSA-N 2 1 207.321 1.540 20 30 BDEDMP CC(C)[N@H+]1CC[C@@H](CNC[C@@H](C#N)CCC#N)C1 ZINC001336763768 977929376 /nfs/dbraw/zinc/92/93/76/977929376.db2.gz RSTPMRFANYYFGE-KGLIPLIRSA-N 2 1 248.374 1.750 20 30 BDEDMP C[N@@H+]1CCC2(C1)CC[NH+](CCC#N)CC2 ZINC001277936255 979021543 /nfs/dbraw/zinc/02/15/43/979021543.db2.gz DBAKRXBFBBYUQG-UHFFFAOYSA-N 2 1 207.321 1.318 20 30 BDEDMP C[N@H+]1CCC2(C1)CC[NH+](CCC#N)CC2 ZINC001277936255 979021546 /nfs/dbraw/zinc/02/15/46/979021546.db2.gz DBAKRXBFBBYUQG-UHFFFAOYSA-N 2 1 207.321 1.318 20 30 BDEDMP C#CC[NH+](CC[C@H]1CCC[N@@H+]1C)CC1CC1 ZINC001341490152 979434708 /nfs/dbraw/zinc/43/47/08/979434708.db2.gz GODHHEQLNNDOCL-CQSZACIVSA-N 2 1 220.360 1.816 20 30 BDEDMP C#CC[N@@H+](CC[C@H]1CCC[NH+]1C)CC1CC1 ZINC001341490152 979434719 /nfs/dbraw/zinc/43/47/19/979434719.db2.gz GODHHEQLNNDOCL-CQSZACIVSA-N 2 1 220.360 1.816 20 30 BDEDMP C#CC[N@H+](CC[C@H]1CCC[NH+]1C)CC1CC1 ZINC001341490152 979434725 /nfs/dbraw/zinc/43/47/25/979434725.db2.gz GODHHEQLNNDOCL-CQSZACIVSA-N 2 1 220.360 1.816 20 30 BDEDMP C#CCCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205604815 981180916 /nfs/dbraw/zinc/18/09/16/981180916.db2.gz XSELZHZVYBFBLG-OLZOCXBDSA-N 2 1 208.349 1.707 20 30 BDEDMP C#CCCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205604816 981181377 /nfs/dbraw/zinc/18/13/77/981181377.db2.gz XSELZHZVYBFBLG-QWHCGFSZSA-N 2 1 208.349 1.707 20 30 BDEDMP C=CCO[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001356083540 983570657 /nfs/dbraw/zinc/57/06/57/983570657.db2.gz RWIMOFSWGZPZHA-GRYCIOLGSA-N 2 1 210.321 1.001 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CO[C@@H](CC)C1 ZINC000688458788 985645659 /nfs/dbraw/zinc/64/56/59/985645659.db2.gz UXTHNDTZQXDUDO-STQMWFEESA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CO[C@@H](CC)C1 ZINC000688458788 985645669 /nfs/dbraw/zinc/64/56/69/985645669.db2.gz UXTHNDTZQXDUDO-STQMWFEESA-N 2 1 224.348 1.099 20 30 BDEDMP N#CCCCC[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001580051765 986475781 /nfs/dbraw/zinc/47/57/81/986475781.db2.gz QGZASNBFYDIABC-QMMMGPOBSA-N 2 1 223.242 1.550 20 30 BDEDMP C=C[C@@](C)(O)C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246029397 987333362 /nfs/dbraw/zinc/33/33/62/987333362.db2.gz FIAVFXPDCPQKIB-CHWSQXEVSA-N 2 1 224.348 1.141 20 30 BDEDMP C=C[C@@](C)(O)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246029397 987333369 /nfs/dbraw/zinc/33/33/69/987333369.db2.gz FIAVFXPDCPQKIB-CHWSQXEVSA-N 2 1 224.348 1.141 20 30 BDEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1 ZINC001246092650 987400934 /nfs/dbraw/zinc/40/09/34/987400934.db2.gz UBNJPMJKXFNNBZ-GRYCIOLGSA-N 2 1 207.321 1.410 20 30 BDEDMP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[NH2+]C2)C1 ZINC001246092655 987403366 /nfs/dbraw/zinc/40/33/66/987403366.db2.gz UBNJPMJKXFNNBZ-WOPDTQHZSA-N 2 1 207.321 1.410 20 30 BDEDMP N#CCC1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246130122 987479410 /nfs/dbraw/zinc/47/94/10/987479410.db2.gz SHSOVDZCWBTKCK-BPCQOVAHSA-N 2 1 221.348 1.800 20 30 BDEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246187153 987568482 /nfs/dbraw/zinc/56/84/82/987568482.db2.gz LHXBTVKFOAHKSR-SWLSCSKDSA-N 2 1 243.354 1.831 20 30 BDEDMP C#CC[N@H+](CC1CC[NH+](CC)CC1)C1CC1 ZINC001474531425 987747650 /nfs/dbraw/zinc/74/76/50/987747650.db2.gz ATUXLRUPMJNMHU-UHFFFAOYSA-N 2 1 220.360 1.816 20 30 BDEDMP N#CCC1C[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246536379 987893777 /nfs/dbraw/zinc/89/37/77/987893777.db2.gz VJQJGZDVZZAJEJ-FOSCPWQOSA-N 2 1 205.305 1.115 20 30 BDEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246545142 987918133 /nfs/dbraw/zinc/91/81/33/987918133.db2.gz UCMCTLOBFPLEHG-LALPHHSUSA-N 2 1 243.354 1.911 20 30 BDEDMP C[C@@H]1C[N@H+](C2CCC(C#N)CC2)C[C@H]1[NH3+] ZINC001246562489 988004504 /nfs/dbraw/zinc/00/45/04/988004504.db2.gz NMQDHNONIAOBSJ-HBIQZDMRSA-N 2 1 207.321 1.348 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246588323 988153384 /nfs/dbraw/zinc/15/33/84/988153384.db2.gz PTIWJVROIGDJIL-RHYQMDGZSA-N 2 1 225.311 1.440 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246588323 988153393 /nfs/dbraw/zinc/15/33/93/988153393.db2.gz PTIWJVROIGDJIL-RHYQMDGZSA-N 2 1 225.311 1.440 20 30 BDEDMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](CC#N)C2)CC[NH2+]1 ZINC001246796688 988470639 /nfs/dbraw/zinc/47/06/39/988470639.db2.gz KCVDKUJFUMGBAW-JHJVBQTASA-N 2 1 221.348 1.753 20 30 BDEDMP N#C[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246831690 988526245 /nfs/dbraw/zinc/52/62/45/988526245.db2.gz KCOCNIIILHYXEF-ICIURTGMSA-N 2 1 233.359 1.895 20 30 BDEDMP C[C@@H]1C[C@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC[NH2+]1 ZINC001246835935 988534220 /nfs/dbraw/zinc/53/42/20/988534220.db2.gz VXPHVZVIIXKDCZ-XGFWRYKXSA-N 2 1 233.359 1.893 20 30 BDEDMP C[C@H](CCCC#N)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246855153 988577942 /nfs/dbraw/zinc/57/79/42/988577942.db2.gz SXVROLCPRLUIPN-WOPDTQHZSA-N 2 1 207.321 1.492 20 30 BDEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246917633 988717517 /nfs/dbraw/zinc/71/75/17/988717517.db2.gz RRIZAULSIPAMFI-IUODEOHRSA-N 2 1 243.354 1.912 20 30 BDEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246917633 988717534 /nfs/dbraw/zinc/71/75/34/988717534.db2.gz RRIZAULSIPAMFI-IUODEOHRSA-N 2 1 243.354 1.912 20 30 BDEDMP C=CCO[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC001326502829 989588955 /nfs/dbraw/zinc/58/89/55/989588955.db2.gz NTSIUNGDCWFBTH-CHWSQXEVSA-N 2 1 224.348 1.263 20 30 BDEDMP CCC#C[C@H](C)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001560136918 991392720 /nfs/dbraw/zinc/39/27/20/991392720.db2.gz LQKHDLSEKYEWQN-MELADBBJSA-N 2 1 220.360 1.957 20 30 BDEDMP C=CCC[C@@H](C)N1CC[NH+](CCCC[NH3+])CC1 ZINC001258725994 991667935 /nfs/dbraw/zinc/66/79/35/991667935.db2.gz PFEDHUJHOQZDCX-CQSZACIVSA-N 2 1 239.407 1.698 20 30 BDEDMP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001574835723 992924732 /nfs/dbraw/zinc/92/47/32/992924732.db2.gz FGMLRVIJUVGPLU-OLZOCXBDSA-N 2 1 208.349 1.884 20 30 BDEDMP C=CCCCC[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001574907516 992940699 /nfs/dbraw/zinc/94/06/99/992940699.db2.gz OOSVNIWWBYWEQV-OLZOCXBDSA-N 2 1 208.349 1.884 20 30 BDEDMP C=CC[N@H+](C[C@H](O)CC[NH3+])CC1CCCCC1 ZINC001574927039 992945290 /nfs/dbraw/zinc/94/52/90/992945290.db2.gz BYQIITQDIBKHHN-CQSZACIVSA-N 2 1 240.391 1.764 20 30 BDEDMP C=CCC[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC001308134486 995561794 /nfs/dbraw/zinc/56/17/94/995561794.db2.gz BMOUVWUCLQRSSJ-ZIAGYGMSSA-N 2 1 240.391 1.730 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000424291566 398180492 /nfs/dbraw/zinc/18/04/92/398180492.db2.gz DQJJXTSGISDYNR-RQJABVFESA-N 2 1 238.375 1.650 20 30 BDEDMP C=C(C)[C@H](CO)[N@H+](C)CCCn1cc[nH+]c1C ZINC000649391764 398195632 /nfs/dbraw/zinc/19/56/32/398195632.db2.gz BQVIZQZFEIHXPW-ZDUSSCGKSA-N 2 1 237.347 1.450 20 30 BDEDMP C=C(C)[C@H](CO)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000649391764 398195633 /nfs/dbraw/zinc/19/56/33/398195633.db2.gz BQVIZQZFEIHXPW-ZDUSSCGKSA-N 2 1 237.347 1.450 20 30 BDEDMP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000442712394 398251275 /nfs/dbraw/zinc/25/12/75/398251275.db2.gz GHLKKBIFKQMCMX-ZOBORPQBSA-N 2 1 233.359 1.895 20 30 BDEDMP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000442712394 398251277 /nfs/dbraw/zinc/25/12/77/398251277.db2.gz GHLKKBIFKQMCMX-ZOBORPQBSA-N 2 1 233.359 1.895 20 30 BDEDMP C[C@@H](CCC#N)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000602493882 349572849 /nfs/dbraw/zinc/57/28/49/349572849.db2.gz MTMKWHGNXKBTAI-SDDRHHMPSA-N 2 1 207.321 1.077 20 30 BDEDMP C[C@H](C#N)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251075373 343534512 /nfs/dbraw/zinc/53/45/12/343534512.db2.gz GFBMDNSFZJIGOT-UTUOFQBUSA-N 2 1 207.321 1.362 20 30 BDEDMP C=CC[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000625704648 344049904 /nfs/dbraw/zinc/04/99/04/344049904.db2.gz ZFWZVPXBACERIF-STQMWFEESA-N 2 1 226.364 1.197 20 30 BDEDMP C=CC[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000625704648 344049905 /nfs/dbraw/zinc/04/99/05/344049905.db2.gz ZFWZVPXBACERIF-STQMWFEESA-N 2 1 226.364 1.197 20 30 BDEDMP C=CC[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000625704648 344049906 /nfs/dbraw/zinc/04/99/06/344049906.db2.gz ZFWZVPXBACERIF-STQMWFEESA-N 2 1 226.364 1.197 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000381999170 347044689 /nfs/dbraw/zinc/04/46/89/347044689.db2.gz JFORKQCQDMSTIQ-CHWSQXEVSA-N 2 1 219.332 1.223 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000381999170 347044693 /nfs/dbraw/zinc/04/46/93/347044693.db2.gz JFORKQCQDMSTIQ-CHWSQXEVSA-N 2 1 219.332 1.223 20 30 BDEDMP CC#CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081632280 345488715 /nfs/dbraw/zinc/48/87/15/345488715.db2.gz GMEDFPYLOBZAGP-AWEZNQCLSA-N 2 1 220.360 1.673 20 30 BDEDMP CC#CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081632280 345488717 /nfs/dbraw/zinc/48/87/17/345488717.db2.gz GMEDFPYLOBZAGP-AWEZNQCLSA-N 2 1 220.360 1.673 20 30 BDEDMP CC#CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081632280 345488721 /nfs/dbraw/zinc/48/87/21/345488721.db2.gz GMEDFPYLOBZAGP-AWEZNQCLSA-N 2 1 220.360 1.673 20 30 BDEDMP CC#CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081632280 345488724 /nfs/dbraw/zinc/48/87/24/345488724.db2.gz GMEDFPYLOBZAGP-AWEZNQCLSA-N 2 1 220.360 1.673 20 30 BDEDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000309955148 347204777 /nfs/dbraw/zinc/20/47/77/347204777.db2.gz HWLCRCVJULLKIU-JHJVBQTASA-N 2 1 221.348 1.610 20 30 BDEDMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(C#N)cc1F ZINC000591570687 347676088 /nfs/dbraw/zinc/67/60/88/347676088.db2.gz AUCOSRORFZUZAA-VHSXEESVSA-N 2 1 235.306 1.913 20 30 BDEDMP N#CCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594501985 348064077 /nfs/dbraw/zinc/06/40/77/348064077.db2.gz WTPSULHBOYXPPU-ZDUSSCGKSA-N 2 1 237.347 1.133 20 30 BDEDMP C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000595887024 348389192 /nfs/dbraw/zinc/38/91/92/348389192.db2.gz BIOBDQVIBWTVNM-WFASDCNBSA-N 2 1 243.354 1.770 20 30 BDEDMP C[C@]1(C#N)CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000595905045 348396698 /nfs/dbraw/zinc/39/66/98/348396698.db2.gz PCNYUHTXURKQQW-QWHCGFSZSA-N 2 1 221.348 1.612 20 30 BDEDMP C#CC[NH+](CC)CCCC[N@H+](CC)CC#C ZINC000267287465 187398948 /nfs/dbraw/zinc/39/89/48/187398948.db2.gz JIOUJGDWRHEZBB-UHFFFAOYSA-N 2 1 220.360 1.677 20 30 BDEDMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000596651032 348606035 /nfs/dbraw/zinc/60/60/35/348606035.db2.gz OCGNFFSIIWACCI-IUODEOHRSA-N 2 1 243.354 1.688 20 30 BDEDMP C#CC[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000365629857 350403211 /nfs/dbraw/zinc/40/32/11/350403211.db2.gz SWUXTDMXYFATGE-LLVKDONJSA-N 2 1 203.289 1.233 20 30 BDEDMP CC#CCN(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000336646691 350415351 /nfs/dbraw/zinc/41/53/51/350415351.db2.gz LCWLUPFKLVYQKP-OLZOCXBDSA-N 2 1 208.349 1.814 20 30 BDEDMP CC#CC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000336646691 350415354 /nfs/dbraw/zinc/41/53/54/350415354.db2.gz LCWLUPFKLVYQKP-OLZOCXBDSA-N 2 1 208.349 1.814 20 30 BDEDMP CC#CC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000336646691 350415357 /nfs/dbraw/zinc/41/53/57/350415357.db2.gz LCWLUPFKLVYQKP-OLZOCXBDSA-N 2 1 208.349 1.814 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000577468508 365960399 /nfs/dbraw/zinc/96/03/99/365960399.db2.gz HCYNTPYDFRAWBO-MCIONIFRSA-N 2 1 238.375 1.794 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623539169 362958370 /nfs/dbraw/zinc/95/83/70/362958370.db2.gz CKBFOYWVRIQOIJ-XQQFMLRXSA-N 2 1 238.375 1.792 20 30 BDEDMP CC(C)(C#N)CCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000232532160 353112652 /nfs/dbraw/zinc/11/26/52/353112652.db2.gz HDDNHMZNJIPOOR-BETUJISGSA-N 2 1 235.375 1.858 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000050245327 181105673 /nfs/dbraw/zinc/10/56/73/181105673.db2.gz ZCNVLBKOXCOUSH-CYBMUJFWSA-N 2 1 215.300 1.339 20 30 BDEDMP O=C(CCc1ncc[nH]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329250006 355907425 /nfs/dbraw/zinc/90/74/25/355907425.db2.gz UDLZIRHUZOFYPL-SNVBAGLBSA-N 2 1 248.330 1.536 20 30 BDEDMP C=CCCC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324225 192227882 /nfs/dbraw/zinc/22/78/82/192227882.db2.gz HDUUYPXJFHLXCC-CYBMUJFWSA-N 2 1 238.375 1.640 20 30 BDEDMP C=C(C)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758021 356667179 /nfs/dbraw/zinc/66/71/79/356667179.db2.gz OLCXVDXASKLHTK-UHFFFAOYSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CC[C@H](CC)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000393840262 357303171 /nfs/dbraw/zinc/30/31/71/357303171.db2.gz HLSNZVUHBMFHIM-AAEUAGOBSA-N 2 1 226.364 1.386 20 30 BDEDMP C=CC[C@H](CC)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000393840262 357303175 /nfs/dbraw/zinc/30/31/75/357303175.db2.gz HLSNZVUHBMFHIM-AAEUAGOBSA-N 2 1 226.364 1.386 20 30 BDEDMP CC1CCN(C(=[NH2+])NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000303266727 134233180 /nfs/dbraw/zinc/23/31/80/134233180.db2.gz WHZWFTHOYMXKJG-LBPRGKRZSA-N 2 1 238.379 1.127 20 30 BDEDMP C=CCC[C@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000126890492 358557552 /nfs/dbraw/zinc/55/75/52/358557552.db2.gz SRHIDBUXOYSSCN-AWEZNQCLSA-N 2 1 240.391 1.776 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000246569179 359147659 /nfs/dbraw/zinc/14/76/59/359147659.db2.gz AMYRKPKAHHTFOF-OLZOCXBDSA-N 2 1 226.364 1.197 20 30 BDEDMP C=CC[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000629550529 361442824 /nfs/dbraw/zinc/44/28/24/361442824.db2.gz OCGIDDPTWVDVIC-CHWSQXEVSA-N 2 1 236.359 1.405 20 30 BDEDMP CC#CCCN1CCC([N@@H+](C)CCCO)CC1 ZINC000155719435 201347666 /nfs/dbraw/zinc/34/76/66/201347666.db2.gz OIJRVNCTGKEBTP-UHFFFAOYSA-N 2 1 238.375 1.178 20 30 BDEDMP CC#CCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000155719435 201347670 /nfs/dbraw/zinc/34/76/70/201347670.db2.gz OIJRVNCTGKEBTP-UHFFFAOYSA-N 2 1 238.375 1.178 20 30 BDEDMP CC#CCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000155719435 201347671 /nfs/dbraw/zinc/34/76/71/201347671.db2.gz OIJRVNCTGKEBTP-UHFFFAOYSA-N 2 1 238.375 1.178 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H]1CC ZINC000382293712 367504087 /nfs/dbraw/zinc/50/40/87/367504087.db2.gz LOUJNVXEPTVSOU-STQMWFEESA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H]1CC ZINC000382293712 367504089 /nfs/dbraw/zinc/50/40/89/367504089.db2.gz LOUJNVXEPTVSOU-STQMWFEESA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000382318157 367506883 /nfs/dbraw/zinc/50/68/83/367506883.db2.gz SGZZPBHGMFTONW-QWHCGFSZSA-N 2 1 222.376 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000382318157 367506889 /nfs/dbraw/zinc/50/68/89/367506889.db2.gz SGZZPBHGMFTONW-QWHCGFSZSA-N 2 1 222.376 1.966 20 30 BDEDMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(C#N)c1 ZINC000566300896 326030800 /nfs/dbraw/zinc/03/08/00/326030800.db2.gz RKCDFJDYVONWBR-GFCCVEGCSA-N 2 1 203.289 1.385 20 30 BDEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000600769277 369562595 /nfs/dbraw/zinc/56/25/95/369562595.db2.gz LDDZETLWCDWEBD-NXEZZACHSA-N 2 1 219.288 1.511 20 30 BDEDMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000600769098 369562791 /nfs/dbraw/zinc/56/27/91/369562791.db2.gz NUWAOHUMWUQWOJ-QWRGUYRKSA-N 2 1 233.315 1.710 20 30 BDEDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000600769098 369562793 /nfs/dbraw/zinc/56/27/93/369562793.db2.gz NUWAOHUMWUQWOJ-QWRGUYRKSA-N 2 1 233.315 1.710 20 30 BDEDMP CC#CC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000174773597 206006183 /nfs/dbraw/zinc/00/61/83/206006183.db2.gz MBZFUNSLEBLHRZ-OLZOCXBDSA-N 2 1 208.349 1.672 20 30 BDEDMP CC#CC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000174773597 206006187 /nfs/dbraw/zinc/00/61/87/206006187.db2.gz MBZFUNSLEBLHRZ-OLZOCXBDSA-N 2 1 208.349 1.672 20 30 BDEDMP CC#CC[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000174773597 206006192 /nfs/dbraw/zinc/00/61/92/206006192.db2.gz MBZFUNSLEBLHRZ-OLZOCXBDSA-N 2 1 208.349 1.672 20 30 BDEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCC#N ZINC000167257185 206144692 /nfs/dbraw/zinc/14/46/92/206144692.db2.gz MAOZOVUBERVUEW-AGIUHOORSA-N 2 1 223.364 1.999 20 30 BDEDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000126872367 384182295 /nfs/dbraw/zinc/18/22/95/384182295.db2.gz VXDMVVACLATWQN-BXUZGUMPSA-N 2 1 229.327 1.727 20 30 BDEDMP C#CCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000368580568 533055322 /nfs/dbraw/zinc/05/53/22/533055322.db2.gz NTXSXKPQPIAJOA-OAHLLOKOSA-N 2 1 249.402 1.112 20 30 BDEDMP N#Cc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422987155 384491475 /nfs/dbraw/zinc/49/14/75/384491475.db2.gz FMJABCDIVUMKGV-ZIAGYGMSSA-N 2 1 245.326 1.406 20 30 BDEDMP C=CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374420706 384571701 /nfs/dbraw/zinc/57/17/01/384571701.db2.gz METXRQODMNHYFJ-FRRDWIJNSA-N 2 1 224.348 1.356 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CC)CC1 ZINC000644549024 384950468 /nfs/dbraw/zinc/95/04/68/384950468.db2.gz DLVZMWWQJFZCFV-CYBMUJFWSA-N 2 1 226.364 1.387 20 30 BDEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])Nc1ccccn1 ZINC000170914446 385456262 /nfs/dbraw/zinc/45/62/62/385456262.db2.gz NELMRVDNSWTVBT-LLVKDONJSA-N 2 1 249.362 1.539 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000309524304 385653799 /nfs/dbraw/zinc/65/37/99/385653799.db2.gz CHBGEGMVMRVUTF-LBPRGKRZSA-N 2 1 240.416 1.980 20 30 BDEDMP C=C[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000336654982 385744713 /nfs/dbraw/zinc/74/47/13/385744713.db2.gz HCMYBOYBHNWBTH-NSHDSACASA-N 2 1 226.364 1.386 20 30 BDEDMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000309627914 385755529 /nfs/dbraw/zinc/75/55/29/385755529.db2.gz GWVKFAPFROYRAR-WCQYABFASA-N 2 1 221.348 1.753 20 30 BDEDMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000335023570 385984634 /nfs/dbraw/zinc/98/46/34/385984634.db2.gz RRGLUYLHJZRMLM-GFJIZPEISA-N 2 1 235.375 1.904 20 30 BDEDMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000335023569 385984739 /nfs/dbraw/zinc/98/47/39/385984739.db2.gz RRGLUYLHJZRMLM-BLYZHGLHSA-N 2 1 235.375 1.904 20 30 BDEDMP C=C(C)COCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000161881734 386005602 /nfs/dbraw/zinc/00/56/02/386005602.db2.gz QJWWQYBIRTYLEQ-OLZOCXBDSA-N 2 1 226.364 1.651 20 30 BDEDMP C=CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975020 386549059 /nfs/dbraw/zinc/54/90/59/386549059.db2.gz HQHVOXJZQQRIRF-STQMWFEESA-N 2 1 208.349 1.884 20 30 BDEDMP C[N@@H+](CCCC[NH2+]C[C@H](C#N)CCC#N)C1CC1 ZINC000571755863 387160624 /nfs/dbraw/zinc/16/06/24/387160624.db2.gz PWFAEAVMHWXHBZ-ZDUSSCGKSA-N 2 1 248.374 1.894 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCSC1 ZINC000328020042 387658867 /nfs/dbraw/zinc/65/88/67/387658867.db2.gz SDLFIDVBTLFXAM-GFCCVEGCSA-N 2 1 226.389 1.427 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCSC1 ZINC000328020042 387658869 /nfs/dbraw/zinc/65/88/69/387658869.db2.gz SDLFIDVBTLFXAM-GFCCVEGCSA-N 2 1 226.389 1.427 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)C1CC1 ZINC000328109302 387873480 /nfs/dbraw/zinc/87/34/80/387873480.db2.gz NOCHFCQBYFKPMW-CYBMUJFWSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)C1CC1 ZINC000328109302 387873485 /nfs/dbraw/zinc/87/34/85/387873485.db2.gz NOCHFCQBYFKPMW-CYBMUJFWSA-N 2 1 208.349 1.720 20 30 BDEDMP C=CCn1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])nn1 ZINC000424372325 387996868 /nfs/dbraw/zinc/99/68/68/387996868.db2.gz GPAVGCJSQIKRBW-DGCLKSJQSA-N 2 1 249.362 1.071 20 30 BDEDMP C=CCCCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000449245210 388161725 /nfs/dbraw/zinc/16/17/25/388161725.db2.gz ZFZPFGXNNDIEGK-KGLIPLIRSA-N 2 1 240.391 1.778 20 30 BDEDMP C=CCCCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000449245210 388161728 /nfs/dbraw/zinc/16/17/28/388161728.db2.gz ZFZPFGXNNDIEGK-KGLIPLIRSA-N 2 1 240.391 1.778 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000328155271 388558132 /nfs/dbraw/zinc/55/81/32/388558132.db2.gz GJWCYRUHFWNJIM-CHWSQXEVSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000328155271 388558134 /nfs/dbraw/zinc/55/81/34/388558134.db2.gz GJWCYRUHFWNJIM-CHWSQXEVSA-N 2 1 224.348 1.099 20 30 BDEDMP COc1cc(C[NH2+][C@@H](C)C2C[NH2+]C2)ccc1C#N ZINC000423128614 388688660 /nfs/dbraw/zinc/68/86/60/388688660.db2.gz VVOCUZOWUMVLHA-JTQLQIEISA-N 2 1 245.326 1.264 20 30 BDEDMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(C#N)c1 ZINC000423314629 388691383 /nfs/dbraw/zinc/69/13/83/388691383.db2.gz HLOMVPCWKHOBMZ-HZMBPMFUSA-N 2 1 229.327 1.946 20 30 BDEDMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423313624 388691613 /nfs/dbraw/zinc/69/16/13/388691613.db2.gz FYLOXVVRIPQCMZ-QMTHXVAHSA-N 2 1 229.327 1.946 20 30 BDEDMP C#CCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371185207 134227564 /nfs/dbraw/zinc/22/75/64/134227564.db2.gz QTVSERKVRDLAGI-HZSPNIEDSA-N 2 1 236.359 1.193 20 30 BDEDMP CC#CC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000119986786 135064975 /nfs/dbraw/zinc/06/49/75/135064975.db2.gz DSFFFAPVIXFXKA-CYBMUJFWSA-N 2 1 231.343 1.698 20 30 BDEDMP CC#CC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000119986786 135064978 /nfs/dbraw/zinc/06/49/78/135064978.db2.gz DSFFFAPVIXFXKA-CYBMUJFWSA-N 2 1 231.343 1.698 20 30 BDEDMP CCC[N@H+]1CCC[C@H]1CNC1=[NH+]CCCN1C ZINC000263122969 135125258 /nfs/dbraw/zinc/12/52/58/135125258.db2.gz MGFPCRSMMTWRLE-LBPRGKRZSA-N 2 1 238.379 1.142 20 30 BDEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C)[NH+](C)C)c1 ZINC000264103090 135133108 /nfs/dbraw/zinc/13/31/08/135133108.db2.gz OODRWEBSXHPSIZ-LBPRGKRZSA-N 2 1 248.374 1.980 20 30 BDEDMP C=CC[N@H+](CCOC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261534642 135167581 /nfs/dbraw/zinc/16/75/81/135167581.db2.gz SHBJAAYBJHZGEJ-CHWSQXEVSA-N 2 1 226.364 1.509 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261587044 135228141 /nfs/dbraw/zinc/22/81/41/135228141.db2.gz UTZUUDUAOVKXTP-ZNMIVQPWSA-N 2 1 241.338 1.727 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccncc1 ZINC000294973003 135379124 /nfs/dbraw/zinc/37/91/24/135379124.db2.gz KAYIIRWBPCVEAW-CYBMUJFWSA-N 2 1 231.343 1.687 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccncc1 ZINC000294973003 135379125 /nfs/dbraw/zinc/37/91/25/135379125.db2.gz KAYIIRWBPCVEAW-CYBMUJFWSA-N 2 1 231.343 1.687 20 30 BDEDMP C=CCOCCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000348039096 136028678 /nfs/dbraw/zinc/02/86/78/136028678.db2.gz UJQSPMUMCPLHPA-ZDUSSCGKSA-N 2 1 226.364 1.463 20 30 BDEDMP C=CC[N@@H+](CCn1cc[nH+]c1C)[C@H](C)COC ZINC000661240798 410401705 /nfs/dbraw/zinc/40/17/05/410401705.db2.gz RLAIBCUWZAIQEG-GFCCVEGCSA-N 2 1 237.347 1.714 20 30 BDEDMP C=CC[N@H+](CCn1cc[nH+]c1C)[C@H](C)COC ZINC000661240798 410401708 /nfs/dbraw/zinc/40/17/08/410401708.db2.gz RLAIBCUWZAIQEG-GFCCVEGCSA-N 2 1 237.347 1.714 20 30 BDEDMP C=CC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H](C)COC ZINC000662299650 412087320 /nfs/dbraw/zinc/08/73/20/412087320.db2.gz TYTRZGPBBLHYFL-KBPBESRZSA-N 2 1 240.391 1.899 20 30 BDEDMP C=CCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319753 412101503 /nfs/dbraw/zinc/10/15/03/412101503.db2.gz LVLWXQUAPRLCSS-ZDUSSCGKSA-N 2 1 226.364 1.605 20 30 BDEDMP C#CC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000248066291 323015774 /nfs/dbraw/zinc/01/57/74/323015774.db2.gz ZMGBQLNWOFSBKN-KBPBESRZSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000248066291 323015775 /nfs/dbraw/zinc/01/57/75/323015775.db2.gz ZMGBQLNWOFSBKN-KBPBESRZSA-N 2 1 238.375 1.346 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@H](C)O)CC1 ZINC000572274792 323583683 /nfs/dbraw/zinc/58/36/83/323583683.db2.gz NXOBZWLJUBMPCC-NEPJUHHUSA-N 2 1 226.364 1.386 20 30 BDEDMP C=CCOCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000380985954 487491846 /nfs/dbraw/zinc/49/18/46/487491846.db2.gz DCZSQEKJUMEUMT-UHFFFAOYSA-N 2 1 224.348 1.405 20 30 BDEDMP C=CCCC[NH2+]C1CC[NH+](CCOC)CC1 ZINC000309922126 534732909 /nfs/dbraw/zinc/73/29/09/534732909.db2.gz SRSDNMGHEOKAJO-UHFFFAOYSA-N 2 1 226.364 1.653 20 30 BDEDMP C=CCNC(=[NH2+])NCC[N@@H+]1CCCC(C)(C)C1 ZINC000262675755 534844264 /nfs/dbraw/zinc/84/42/64/534844264.db2.gz AHQABZZCFGYFEB-UHFFFAOYSA-N 2 1 238.379 1.199 20 30 BDEDMP C=CCCOCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400523825 527367851 /nfs/dbraw/zinc/36/78/51/527367851.db2.gz PGCCLUWLHMQPQA-VXGBXAGGSA-N 2 1 212.337 1.309 20 30 BDEDMP CC(C)[N@H+]1CCC[C@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000262676684 535169376 /nfs/dbraw/zinc/16/93/76/535169376.db2.gz UFUVNFJDMQQLHO-NWDGAFQWSA-N 2 1 238.379 1.044 20 30 BDEDMP C#CC[N@H+](Cc1cnc2n1CCC2)C(C)C ZINC000897171391 583889258 /nfs/dbraw/zinc/88/92/58/583889258.db2.gz XQVBPKFWNRHCGK-UHFFFAOYSA-N 2 1 217.316 1.673 20 30 BDEDMP C[C@H]1C[N@@H+](CC2CCC(C#N)CC2)CC[C@H]1[NH3+] ZINC000903425012 584765457 /nfs/dbraw/zinc/76/54/57/584765457.db2.gz ORAMIFPIRUQXED-GFJIZPEISA-N 2 1 235.375 1.985 20 30 BDEDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903447431 584770739 /nfs/dbraw/zinc/77/07/39/584770739.db2.gz RZBMMXSNERRWEF-ABXWRUBCSA-N 2 1 235.375 1.985 20 30 BDEDMP C[C@]1(C[NH3+])CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903453071 584772715 /nfs/dbraw/zinc/77/27/15/584772715.db2.gz YEAOUKOJSKOROB-JXQTWKCFSA-N 2 1 235.375 1.987 20 30 BDEDMP C[N@@H+](CCCCC1(C#N)CCC1)C[C@@H](O)C[NH3+] ZINC000903752037 584795783 /nfs/dbraw/zinc/79/57/83/584795783.db2.gz PBUBMMZQQRSIBO-LBPRGKRZSA-N 2 1 239.363 1.102 20 30 BDEDMP C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000801951010 586282138 /nfs/dbraw/zinc/28/21/38/586282138.db2.gz RGAZKCXJPJYSFD-QWHCGFSZSA-N 2 1 239.363 1.331 20 30 BDEDMP C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000801951010 586282139 /nfs/dbraw/zinc/28/21/39/586282139.db2.gz RGAZKCXJPJYSFD-QWHCGFSZSA-N 2 1 239.363 1.331 20 30 BDEDMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(OCC#N)cc1 ZINC000817961148 586851117 /nfs/dbraw/zinc/85/11/17/586851117.db2.gz XTUWAAKIPSBJIC-NSHDSACASA-N 2 1 247.342 1.977 20 30 BDEDMP C#C[C@H]([NH2+]CCCc1c[nH+]cn1C)[C@H]1CCCO1 ZINC000846861706 588294105 /nfs/dbraw/zinc/29/41/05/588294105.db2.gz QUZPVPIDGBSLGB-UONOGXRCSA-N 2 1 247.342 1.123 20 30 BDEDMP C#C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000847021319 588302882 /nfs/dbraw/zinc/30/28/82/588302882.db2.gz JNAZGGLJHLUYEL-KGLIPLIRSA-N 2 1 220.360 1.816 20 30 BDEDMP C#C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000847021319 588302883 /nfs/dbraw/zinc/30/28/83/588302883.db2.gz JNAZGGLJHLUYEL-KGLIPLIRSA-N 2 1 220.360 1.816 20 30 BDEDMP C#C[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000847021319 588302884 /nfs/dbraw/zinc/30/28/84/588302884.db2.gz JNAZGGLJHLUYEL-KGLIPLIRSA-N 2 1 220.360 1.816 20 30 BDEDMP C=C(C)CNC(=[NH2+])NCCC[N@H+](C)CC(C)C ZINC000849046886 588450412 /nfs/dbraw/zinc/45/04/12/588450412.db2.gz MTWRVXBXHPNOJK-UHFFFAOYSA-N 2 1 240.395 1.654 20 30 BDEDMP CCCCCCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000109350548 588547849 /nfs/dbraw/zinc/54/78/49/588547849.db2.gz IVWUKILUXJDSPL-UHFFFAOYSA-N 2 1 241.423 1.794 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000850470910 588548978 /nfs/dbraw/zinc/54/89/78/588548978.db2.gz ISYFPDVJCOSUFM-CYBMUJFWSA-N 2 1 236.359 1.243 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000850470910 588548980 /nfs/dbraw/zinc/54/89/80/588548980.db2.gz ISYFPDVJCOSUFM-CYBMUJFWSA-N 2 1 236.359 1.243 20 30 BDEDMP C=CC[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000878315096 590542294 /nfs/dbraw/zinc/54/22/94/590542294.db2.gz FWEZXWTYNHMERZ-CQSZACIVSA-N 2 1 239.407 1.520 20 30 BDEDMP C=CC[C@@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000879001056 590674027 /nfs/dbraw/zinc/67/40/27/590674027.db2.gz OEMIARWSXBPHDK-ZIAGYGMSSA-N 2 1 240.391 1.994 20 30 BDEDMP C#CCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580640 590821094 /nfs/dbraw/zinc/82/10/94/590821094.db2.gz ISVHWVQBZPAQPV-QWHCGFSZSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580640 590821084 /nfs/dbraw/zinc/82/10/84/590821084.db2.gz ISVHWVQBZPAQPV-QWHCGFSZSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580640 590821088 /nfs/dbraw/zinc/82/10/88/590821088.db2.gz ISVHWVQBZPAQPV-QWHCGFSZSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580640 590821090 /nfs/dbraw/zinc/82/10/90/590821090.db2.gz ISVHWVQBZPAQPV-QWHCGFSZSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260786 590980771 /nfs/dbraw/zinc/98/07/71/590980771.db2.gz FRBSDENQSIDBQB-LBPRGKRZSA-N 2 1 215.300 1.225 20 30 BDEDMP C#CC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260786 590980773 /nfs/dbraw/zinc/98/07/73/590980773.db2.gz FRBSDENQSIDBQB-LBPRGKRZSA-N 2 1 215.300 1.225 20 30 BDEDMP C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000883390201 591641849 /nfs/dbraw/zinc/64/18/49/591641849.db2.gz HYSVQTNBKJHIQW-JHJVBQTASA-N 2 1 226.364 1.386 20 30 BDEDMP C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000883390201 591641852 /nfs/dbraw/zinc/64/18/52/591641852.db2.gz HYSVQTNBKJHIQW-JHJVBQTASA-N 2 1 226.364 1.386 20 30 BDEDMP C#CC[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000886365455 592219745 /nfs/dbraw/zinc/21/97/45/592219745.db2.gz ISGWCJNZZUUJQN-ZDUSSCGKSA-N 2 1 231.343 1.698 20 30 BDEDMP C#CC[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000886365455 592219746 /nfs/dbraw/zinc/21/97/46/592219746.db2.gz ISGWCJNZZUUJQN-ZDUSSCGKSA-N 2 1 231.343 1.698 20 30 BDEDMP C=CC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130255 592449292 /nfs/dbraw/zinc/44/92/92/592449292.db2.gz AFICGEXLPDJRQA-GFCCVEGCSA-N 2 1 217.316 1.778 20 30 BDEDMP C#CCSCC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000222109058 592467295 /nfs/dbraw/zinc/46/72/95/592467295.db2.gz UXOWSGQBGWNRRL-STQMWFEESA-N 2 1 240.416 1.673 20 30 BDEDMP CC(C)NC(=[NH2+])NCC[N@H+]1CCC[C@H](C)C1 ZINC000104168256 592602881 /nfs/dbraw/zinc/60/28/81/592602881.db2.gz VTFPUSYLCNWFAW-NSHDSACASA-N 2 1 226.368 1.031 20 30 BDEDMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)C[C@]2(C)C1 ZINC000933732532 631494771 /nfs/dbraw/zinc/49/47/71/631494771.db2.gz RAHZRJHKRYFSMI-SYQHCUMBSA-N 2 1 233.359 1.562 20 30 BDEDMP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)C[C@]2(C)C1 ZINC000933732532 631494786 /nfs/dbraw/zinc/49/47/86/631494786.db2.gz RAHZRJHKRYFSMI-SYQHCUMBSA-N 2 1 233.359 1.562 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@]2(C)C1 ZINC000933732532 631494790 /nfs/dbraw/zinc/49/47/90/631494790.db2.gz RAHZRJHKRYFSMI-SYQHCUMBSA-N 2 1 233.359 1.562 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@]2(C)C1 ZINC000933732532 631494799 /nfs/dbraw/zinc/49/47/99/631494799.db2.gz RAHZRJHKRYFSMI-SYQHCUMBSA-N 2 1 233.359 1.562 20 30 BDEDMP CCCC[N@@H+](C)CC[NH+]=C(N(C)C)N(C)C ZINC000849005845 631907032 /nfs/dbraw/zinc/90/70/32/631907032.db2.gz WSDRWHNHDWXLDL-UHFFFAOYSA-N 2 1 228.384 1.198 20 30 BDEDMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCC#N ZINC000924942604 635796193 /nfs/dbraw/zinc/79/61/93/635796193.db2.gz OVESQJZAUABWPK-FUNVUKJBSA-N 2 1 221.348 1.610 20 30 BDEDMP C#CCSCC[NH2+]C1CC[NH+](C)CC1 ZINC000177361082 632812747 /nfs/dbraw/zinc/81/27/47/632812747.db2.gz DHPIXEWXXJZQBP-UHFFFAOYSA-N 2 1 212.362 1.037 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000328060545 633228635 /nfs/dbraw/zinc/22/86/35/633228635.db2.gz BGIRHOREPIBDRF-KBPBESRZSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000328060545 633228640 /nfs/dbraw/zinc/22/86/40/633228640.db2.gz BGIRHOREPIBDRF-KBPBESRZSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccn1C ZINC000328177855 633735575 /nfs/dbraw/zinc/73/55/75/633735575.db2.gz MIZOMFQPNKTXJF-UHFFFAOYSA-N 2 1 219.332 1.070 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cccn1C ZINC000328177855 633735580 /nfs/dbraw/zinc/73/55/80/633735580.db2.gz MIZOMFQPNKTXJF-UHFFFAOYSA-N 2 1 219.332 1.070 20 30 BDEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])N(CC)CC ZINC000303979240 636319842 /nfs/dbraw/zinc/31/98/42/636319842.db2.gz MYUVUOCYDZMZTQ-LLVKDONJSA-N 2 1 228.384 1.373 20 30 BDEDMP C#C[C@H](CC)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252959228 636777895 /nfs/dbraw/zinc/77/78/95/636777895.db2.gz UCIWJQDOYKMUTE-UPJWGTAASA-N 2 1 206.333 1.615 20 30 BDEDMP C=C(C)CC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933732187 640754796 /nfs/dbraw/zinc/75/47/96/640754796.db2.gz MFLNYDANNFOAND-OLZOCXBDSA-N 2 1 208.349 1.836 20 30 BDEDMP C=C(C)CC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933732187 640754802 /nfs/dbraw/zinc/75/48/02/640754802.db2.gz MFLNYDANNFOAND-OLZOCXBDSA-N 2 1 208.349 1.836 20 30 BDEDMP C=C(C)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933732187 640754807 /nfs/dbraw/zinc/75/48/07/640754807.db2.gz MFLNYDANNFOAND-OLZOCXBDSA-N 2 1 208.349 1.836 20 30 BDEDMP C=CCC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933739180 640758356 /nfs/dbraw/zinc/75/83/56/640758356.db2.gz DTEACGPCUWMAGH-MCIONIFRSA-N 2 1 238.375 1.197 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933739180 640758358 /nfs/dbraw/zinc/75/83/58/640758358.db2.gz DTEACGPCUWMAGH-MCIONIFRSA-N 2 1 238.375 1.197 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933739180 640758360 /nfs/dbraw/zinc/75/83/60/640758360.db2.gz DTEACGPCUWMAGH-MCIONIFRSA-N 2 1 238.375 1.197 20 30 BDEDMP C[C@@H]1CCCC[N@H+]1CCCCNC(=[NH2+])N(C)C ZINC000170903768 640936331 /nfs/dbraw/zinc/93/63/31/640936331.db2.gz YIABCQPWZTYINT-GFCCVEGCSA-N 2 1 240.395 1.517 20 30 BDEDMP C=CCN(C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000917068820 642002928 /nfs/dbraw/zinc/00/29/28/642002928.db2.gz DIOLIDOZODQVNT-CYBMUJFWSA-N 2 1 226.364 1.340 20 30 BDEDMP C#CCCC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247034956 642383800 /nfs/dbraw/zinc/38/38/00/642383800.db2.gz LMDYZYMCBOPNDU-STQMWFEESA-N 2 1 208.349 1.720 20 30 BDEDMP C=CCC[C@H](O)C[N@H+](CCC)C1CC[NH2+]CC1 ZINC000923327125 644352512 /nfs/dbraw/zinc/35/25/12/644352512.db2.gz NQFZNHARXHTAFZ-AWEZNQCLSA-N 2 1 240.391 1.778 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923355489 644372837 /nfs/dbraw/zinc/37/28/37/644372837.db2.gz MSWKATMNUCVOCK-ZIAGYGMSSA-N 2 1 238.375 1.389 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923366295 644377712 /nfs/dbraw/zinc/37/77/12/644377712.db2.gz JPKFYIOMRIJGOV-KGLIPLIRSA-N 2 1 238.375 1.389 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000923383592 644395762 /nfs/dbraw/zinc/39/57/62/644395762.db2.gz UMKUGIQANBENNY-MQYQWHSLSA-N 2 1 240.391 1.619 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000923389234 644401664 /nfs/dbraw/zinc/40/16/64/644401664.db2.gz NELSDFPYZOWBTQ-FRRDWIJNSA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000923389234 644401669 /nfs/dbraw/zinc/40/16/69/644401669.db2.gz NELSDFPYZOWBTQ-FRRDWIJNSA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000923426414 644422646 /nfs/dbraw/zinc/42/26/46/644422646.db2.gz DCRWMFKAXZYSIA-QWHCGFSZSA-N 2 1 238.375 1.578 20 30 BDEDMP N#Cc1cnccc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923481656 644459608 /nfs/dbraw/zinc/45/96/08/644459608.db2.gz TZWSDCGOLYMEMQ-LLVKDONJSA-N 2 1 230.315 1.124 20 30 BDEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000304740575 644928664 /nfs/dbraw/zinc/92/86/64/644928664.db2.gz BSRFYEWUUKBESX-LBPRGKRZSA-N 2 1 238.379 1.033 20 30 BDEDMP CCCCNC(=[NH2+])NCC[N@@H+](C)C1CCCC1 ZINC000304751459 644928985 /nfs/dbraw/zinc/92/89/85/644928985.db2.gz JHCRNQJMAMEUDE-UHFFFAOYSA-N 2 1 240.395 1.565 20 30 BDEDMP CCCC[N@@H+](C)CCNC(=[NH2+])NC(C)(C)C ZINC000304755911 644930808 /nfs/dbraw/zinc/93/08/08/644930808.db2.gz NHDSKEOCUNEYPN-UHFFFAOYSA-N 2 1 228.384 1.421 20 30 BDEDMP CC[N@H+]1CC[C@@H](N(C)C[C@H](O)CC#N)C[C@@H]1C ZINC000929779748 646308110 /nfs/dbraw/zinc/30/81/10/646308110.db2.gz IISMKSXGLPIBMF-YNEHKIRRSA-N 2 1 239.363 1.066 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc[nH]c1 ZINC000381997852 710764681 /nfs/dbraw/zinc/76/46/81/710764681.db2.gz IYPGYZXVYDGNPG-UHFFFAOYSA-N 2 1 205.305 1.059 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc[nH]c1 ZINC000381997852 710764683 /nfs/dbraw/zinc/76/46/83/710764683.db2.gz IYPGYZXVYDGNPG-UHFFFAOYSA-N 2 1 205.305 1.059 20 30 BDEDMP C[N@@H+]1CC=C(C[NH2+]CC#Cc2ccccc2)CC1 ZINC000392922878 711154028 /nfs/dbraw/zinc/15/40/28/711154028.db2.gz GGTVRGLXGOYEJP-UHFFFAOYSA-N 2 1 240.350 1.890 20 30 BDEDMP C=CCCOCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000383065186 710923947 /nfs/dbraw/zinc/92/39/47/710923947.db2.gz OOCCHSCCDWGFOE-YHQUGGNUSA-N 2 1 236.359 1.165 20 30 BDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228543152 711636165 /nfs/dbraw/zinc/63/61/65/711636165.db2.gz KPLGPMPVLRHDEK-HBNTYKKESA-N 2 1 214.740 1.798 20 30 BDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228543152 711636167 /nfs/dbraw/zinc/63/61/67/711636167.db2.gz KPLGPMPVLRHDEK-HBNTYKKESA-N 2 1 214.740 1.798 20 30 BDEDMP C#CCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000389567090 711793603 /nfs/dbraw/zinc/79/36/03/711793603.db2.gz AEOPUZGFGMVUHS-UHFFFAOYSA-N 2 1 206.333 1.616 20 30 BDEDMP C#CCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705640064 712134066 /nfs/dbraw/zinc/13/40/66/712134066.db2.gz AISBZDVJGUASCJ-CHWSQXEVSA-N 2 1 206.333 1.283 20 30 BDEDMP C=CCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720874204 712873362 /nfs/dbraw/zinc/87/33/62/712873362.db2.gz WZSWRBNZSRNHQX-BDAKNGLRSA-N 2 1 222.254 1.632 20 30 BDEDMP C=CCNCC[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206296071 968200497 /nfs/dbraw/zinc/20/04/97/968200497.db2.gz PFIZENOACCBAFU-CYBMUJFWSA-N 2 1 225.380 1.213 20 30 BDEDMP C=CCNCC[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206296071 968200509 /nfs/dbraw/zinc/20/05/09/968200509.db2.gz PFIZENOACCBAFU-CYBMUJFWSA-N 2 1 225.380 1.213 20 30 BDEDMP C=CC[NH+]1CCN(CC(C)(C)C[NH+](C)C)CC1 ZINC001207286460 968716447 /nfs/dbraw/zinc/71/64/47/968716447.db2.gz RZPDSGRJRMDTOG-UHFFFAOYSA-N 2 1 239.407 1.378 20 30 BDEDMP C=C[C@](C)(O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001252575695 968827558 /nfs/dbraw/zinc/82/75/58/968827558.db2.gz DKQLXAOIUWSKOP-ZDUSSCGKSA-N 2 1 224.348 1.140 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+](CC)CCC[NH+](C)C ZINC001252601646 968859260 /nfs/dbraw/zinc/85/92/60/968859260.db2.gz AZCBSUVFOJMFMM-ZDUSSCGKSA-N 2 1 228.380 1.587 20 30 BDEDMP C=CCC[NH2+]CCCNC(=O)C[N@H+](C)CCC ZINC001171769629 974154676 /nfs/dbraw/zinc/15/46/76/974154676.db2.gz AZYRGOSQOJQFNY-UHFFFAOYSA-N 2 1 241.379 1.000 20 30 BDEDMP C=CCCCC[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222085556 972361027 /nfs/dbraw/zinc/36/10/27/972361027.db2.gz CBDIEFATZUVWTB-UHFFFAOYSA-N 2 1 237.391 1.370 20 30 BDEDMP N#Cc1cccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)n1 ZINC001206632031 962123077 /nfs/dbraw/zinc/12/30/77/962123077.db2.gz DWEIYWFTECLQTR-GFCCVEGCSA-N 2 1 244.342 1.514 20 30 BDEDMP N#Cc1cccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)n1 ZINC001206632031 962123097 /nfs/dbraw/zinc/12/30/97/962123097.db2.gz DWEIYWFTECLQTR-GFCCVEGCSA-N 2 1 244.342 1.514 20 30 BDEDMP C=CC[N@@H+]1CCC[C@H]1CNc1cccc(N)[nH+]1 ZINC001160953216 964454821 /nfs/dbraw/zinc/45/48/21/964454821.db2.gz XEHVXZSCEMHPLT-NSHDSACASA-N 2 1 232.331 1.726 20 30 BDEDMP N#CCc1cc(N[C@H]2C[NH+]3CCC2CC3)cc[nH+]1 ZINC001163395607 965395568 /nfs/dbraw/zinc/39/55/68/965395568.db2.gz SHHKQHHQGHGTNV-AWEZNQCLSA-N 2 1 242.326 1.076 20 30 BDEDMP Cc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C#N)c1 ZINC001205146116 967390791 /nfs/dbraw/zinc/39/07/91/967390791.db2.gz PASOWXUQJQPGAG-SWLSCSKDSA-N 2 1 243.354 1.893 20 30 BDEDMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C#N)c1 ZINC001205146116 967390806 /nfs/dbraw/zinc/39/08/06/967390806.db2.gz PASOWXUQJQPGAG-SWLSCSKDSA-N 2 1 243.354 1.893 20 30 BDEDMP C[NH+]1CCC(CC[N@H+]2CC[C@@H](C#N)C2)CC1 ZINC001207486236 968798687 /nfs/dbraw/zinc/79/86/87/968798687.db2.gz DTFQNWKAGFJBKD-ZDUSSCGKSA-N 2 1 221.348 1.564 20 30 BDEDMP C[NH+]1CCC(CC[N@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC001207488060 968802504 /nfs/dbraw/zinc/80/25/04/968802504.db2.gz DSFZOSLIWWHXJJ-AWEZNQCLSA-N 2 1 235.375 1.954 20 30 BDEDMP C=CCC[C@@H](O)C[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001252603682 968862636 /nfs/dbraw/zinc/86/26/36/968862636.db2.gz DQXGCSFEMMXWEJ-CQSZACIVSA-N 2 1 240.391 1.730 20 30 BDEDMP C=CCC[C@@H](O)C[NH+]1CCC([N@H+](C)CC)CC1 ZINC001252603682 968862640 /nfs/dbraw/zinc/86/26/40/968862640.db2.gz DQXGCSFEMMXWEJ-CQSZACIVSA-N 2 1 240.391 1.730 20 30 BDEDMP C=CCC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001252613998 968869357 /nfs/dbraw/zinc/86/93/57/968869357.db2.gz FATQMFKCWVBBLY-KBPBESRZSA-N 2 1 240.391 1.635 20 30 BDEDMP C=CCCC[N@@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001209163763 969366889 /nfs/dbraw/zinc/36/68/89/969366889.db2.gz KTKMSRUAOQTTMN-OLZOCXBDSA-N 2 1 208.349 1.979 20 30 BDEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCCC#N)C2 ZINC001169097874 969389172 /nfs/dbraw/zinc/38/91/72/969389172.db2.gz DGFBHQDPTFTJJZ-XYYAHUGASA-N 2 1 221.348 1.895 20 30 BDEDMP C#CCOCC[N@H+](C)CCCCn1cc[nH+]c1C ZINC001253942015 969426094 /nfs/dbraw/zinc/42/60/94/969426094.db2.gz NSZSQPKOVMCDDC-UHFFFAOYSA-N 2 1 249.358 1.553 20 30 BDEDMP C#CCOCC[N@@H+](C)CCCCn1cc[nH+]c1C ZINC001253942015 969426099 /nfs/dbraw/zinc/42/60/99/969426099.db2.gz NSZSQPKOVMCDDC-UHFFFAOYSA-N 2 1 249.358 1.553 20 30 BDEDMP C=CC[NH+]1CCN(C2CC[NH+](CC)CC2)CC1 ZINC001169256018 969544427 /nfs/dbraw/zinc/54/44/27/969544427.db2.gz XUHCJEVKRWEUIA-UHFFFAOYSA-N 2 1 237.391 1.274 20 30 BDEDMP C#CC1CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209736664 969598145 /nfs/dbraw/zinc/59/81/45/969598145.db2.gz HGQAQJCDCUATFP-UHFFFAOYSA-N 2 1 215.300 1.339 20 30 BDEDMP C[N@@H+]1CCC[C@H]([NH2+]CC2(C#N)CCC2)CC1 ZINC001254498328 969658852 /nfs/dbraw/zinc/65/88/52/969658852.db2.gz VSPSOWKQQAKJSY-LBPRGKRZSA-N 2 1 221.348 1.754 20 30 BDEDMP C[N@H+]1CCC[C@H]([NH2+]CC2(C#N)CCC2)CC1 ZINC001254498328 969658867 /nfs/dbraw/zinc/65/88/67/969658867.db2.gz VSPSOWKQQAKJSY-LBPRGKRZSA-N 2 1 221.348 1.754 20 30 BDEDMP C#C[C@H]1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254526619 969716766 /nfs/dbraw/zinc/71/67/66/969716766.db2.gz RYABGCDAYLVLON-UONOGXRCSA-N 2 1 220.360 1.816 20 30 BDEDMP C#C[C@H]1CCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254526619 969716771 /nfs/dbraw/zinc/71/67/71/969716771.db2.gz RYABGCDAYLVLON-UONOGXRCSA-N 2 1 220.360 1.816 20 30 BDEDMP C#C[C@H]1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254526619 969716772 /nfs/dbraw/zinc/71/67/72/969716772.db2.gz RYABGCDAYLVLON-UONOGXRCSA-N 2 1 220.360 1.816 20 30 BDEDMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CC[C@@H](C#N)C1 ZINC001254676848 969785626 /nfs/dbraw/zinc/78/56/26/969785626.db2.gz OJTNEVQKVBGESK-OLZOCXBDSA-N 2 1 223.364 1.952 20 30 BDEDMP C=CC[NH+]1CCN([C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254862811 969812677 /nfs/dbraw/zinc/81/26/77/969812677.db2.gz RYTIWPKNRZMJSS-HNNXBMFYSA-N 2 1 249.402 1.274 20 30 BDEDMP C=C[C@@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255668852 970447526 /nfs/dbraw/zinc/44/75/26/970447526.db2.gz OCIWZGARDQYHGQ-WODVXLOZSA-N 2 1 224.348 1.138 20 30 BDEDMP C=CCCCNc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001170296484 970672345 /nfs/dbraw/zinc/67/23/45/970672345.db2.gz KXLIGLWFOHMSJM-UHFFFAOYSA-N 2 1 247.346 1.264 20 30 BDEDMP C=CCOC1CCC([N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246865387 973207802 /nfs/dbraw/zinc/20/78/02/973207802.db2.gz BNSOGRDWEPLFMV-BLYZHGLHSA-N 2 1 236.359 1.533 20 30 BDEDMP C=CCOC1CCC([N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246865387 973207821 /nfs/dbraw/zinc/20/78/21/973207821.db2.gz BNSOGRDWEPLFMV-BLYZHGLHSA-N 2 1 236.359 1.533 20 30 BDEDMP COCC[N@H+](CCC#N)CC1CC[NH+](C)CC1 ZINC000691576359 977226249 /nfs/dbraw/zinc/22/62/49/977226249.db2.gz IGSLKAGSITVION-UHFFFAOYSA-N 2 1 239.363 1.190 20 30 BDEDMP COCC[N@@H+](CCC#N)CC1CC[NH+](C)CC1 ZINC000691576359 977226257 /nfs/dbraw/zinc/22/62/57/977226257.db2.gz IGSLKAGSITVION-UHFFFAOYSA-N 2 1 239.363 1.190 20 30 BDEDMP CCC#C[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001176641139 978146543 /nfs/dbraw/zinc/14/65/43/978146543.db2.gz PEZQIMYEJKTUEL-MJBXVCDLSA-N 2 1 220.360 1.672 20 30 BDEDMP CCC#C[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001176641139 978146547 /nfs/dbraw/zinc/14/65/47/978146547.db2.gz PEZQIMYEJKTUEL-MJBXVCDLSA-N 2 1 220.360 1.672 20 30 BDEDMP CCC#C[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001176641139 978146553 /nfs/dbraw/zinc/14/65/53/978146553.db2.gz PEZQIMYEJKTUEL-MJBXVCDLSA-N 2 1 220.360 1.672 20 30 BDEDMP CCC#C[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001176641139 978146559 /nfs/dbraw/zinc/14/65/59/978146559.db2.gz PEZQIMYEJKTUEL-MJBXVCDLSA-N 2 1 220.360 1.672 20 30 BDEDMP C=CCCCCCN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234982047 978938639 /nfs/dbraw/zinc/93/86/39/978938639.db2.gz REVHAZYQWFSENK-CQSZACIVSA-N 2 1 237.391 1.370 20 30 BDEDMP C[C@H](C#N)OCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000685997264 985030962 /nfs/dbraw/zinc/03/09/62/985030962.db2.gz CGTVRNQKAHAJRE-OLZOCXBDSA-N 2 1 239.363 1.189 20 30 BDEDMP C[C@H](C#N)OCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000685997264 985030981 /nfs/dbraw/zinc/03/09/81/985030981.db2.gz CGTVRNQKAHAJRE-OLZOCXBDSA-N 2 1 239.363 1.189 20 30 BDEDMP C[C@H](C#N)OCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000685997264 985030997 /nfs/dbraw/zinc/03/09/97/985030997.db2.gz CGTVRNQKAHAJRE-OLZOCXBDSA-N 2 1 239.363 1.189 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CO[C@H](CC)C1 ZINC000688458785 985645137 /nfs/dbraw/zinc/64/51/37/985645137.db2.gz UXTHNDTZQXDUDO-CHWSQXEVSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CO[C@H](CC)C1 ZINC000688458785 985645145 /nfs/dbraw/zinc/64/51/45/985645145.db2.gz UXTHNDTZQXDUDO-CHWSQXEVSA-N 2 1 224.348 1.099 20 30 BDEDMP C=C[C@H](O)C[NH2+]CCC[N@H+](C)CCCC ZINC001253597940 986221516 /nfs/dbraw/zinc/22/15/16/986221516.db2.gz LGFFEKWEYBVUII-LBPRGKRZSA-N 2 1 214.353 1.245 20 30 BDEDMP C=C[C@H](O)C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001253598393 986228021 /nfs/dbraw/zinc/22/80/21/986228021.db2.gz SHXPICQIRUMZTA-MJBXVCDLSA-N 2 1 240.391 1.491 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001580040615 986450236 /nfs/dbraw/zinc/45/02/36/986450236.db2.gz LTLBNNIUYNLYFA-NDBYEHHHSA-N 2 1 219.332 1.220 20 30 BDEDMP N#CC1(C[NH2+][C@H]2CCC[NH2+]CC2)CCOCC1 ZINC001580041126 986450981 /nfs/dbraw/zinc/45/09/81/986450981.db2.gz VKOMZRDDDOHOJF-LBPRGKRZSA-N 2 1 237.347 1.038 20 30 BDEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1F ZINC001580065550 986505545 /nfs/dbraw/zinc/50/55/45/986505545.db2.gz MENBLJXHZNEVLM-XYPYZODXSA-N 2 1 219.263 1.277 20 30 BDEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001462671780 986508803 /nfs/dbraw/zinc/50/88/03/986508803.db2.gz SFOOHNDEIIZNBV-YIYPIFLZSA-N 2 1 235.375 1.856 20 30 BDEDMP N#Cc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1F ZINC001246274245 987670132 /nfs/dbraw/zinc/67/01/32/987670132.db2.gz XYYCFGHSKXDDRY-UHFFFAOYSA-N 2 1 233.290 1.539 20 30 BDEDMP N#Cc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246350286 987760779 /nfs/dbraw/zinc/76/07/79/987760779.db2.gz MMHJQCLPYFFVLJ-PBWFPOADSA-N 2 1 242.326 1.326 20 30 BDEDMP SCCCCCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246471591 987829735 /nfs/dbraw/zinc/82/97/35/987829735.db2.gz VEDAMKLGPVKQNF-NSHDSACASA-N 2 1 216.394 1.818 20 30 BDEDMP C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC[C@@H]1C[NH3+] ZINC001246553996 987957791 /nfs/dbraw/zinc/95/77/91/987957791.db2.gz AOKYNAWMJVCJCH-AAVRWANBSA-N 2 1 235.375 1.985 20 30 BDEDMP C[C@H](CCCC#N)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246564153 988004229 /nfs/dbraw/zinc/00/42/29/988004229.db2.gz WBWHLAIZEPGEMH-CHWSQXEVSA-N 2 1 239.363 1.244 20 30 BDEDMP C[C@@H](CCCC#N)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246564155 988009421 /nfs/dbraw/zinc/00/94/21/988009421.db2.gz WBWHLAIZEPGEMH-QWHCGFSZSA-N 2 1 239.363 1.244 20 30 BDEDMP C=CCC[C@H](C)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246565618 988014500 /nfs/dbraw/zinc/01/45/00/988014500.db2.gz ZCYCLBRYZZFRFV-QWHCGFSZSA-N 2 1 226.364 1.517 20 30 BDEDMP CCCCCCC[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246576480 988082722 /nfs/dbraw/zinc/08/27/22/988082722.db2.gz GMWGAQMFZOIAKK-HZSPNIEDSA-N 2 1 242.407 1.987 20 30 BDEDMP C=CCC[C@H](C)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001258720521 991653338 /nfs/dbraw/zinc/65/33/38/991653338.db2.gz ANERTLGATMJTCE-GXTWGEPZSA-N 2 1 237.391 1.354 20 30 BDEDMP C=CCSCC[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001574950384 992946127 /nfs/dbraw/zinc/94/61/27/992946127.db2.gz GWGWFUYXEAOJKJ-QMMMGPOBSA-N 2 1 242.310 1.775 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccn2)CC[C@H]1C[NH3+] ZINC001576807804 993429157 /nfs/dbraw/zinc/42/91/57/993429157.db2.gz VSCNKQGCWFPJAM-YPMHNXCESA-N 2 1 244.342 1.370 20 30 BDEDMP C=CC[C@@H](CO)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423020025 398161345 /nfs/dbraw/zinc/16/13/45/398161345.db2.gz YKFUABDRTODMOB-GHMZBOCLSA-N 2 1 235.331 1.329 20 30 BDEDMP C=C(C)[C@H](CO)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000649353849 398165791 /nfs/dbraw/zinc/16/57/91/398165791.db2.gz XHTDQAIWBGAJMJ-IHRRRGAJSA-N 2 1 238.375 1.340 20 30 BDEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC[N@@H+]1C ZINC000336731339 136218386 /nfs/dbraw/zinc/21/83/86/136218386.db2.gz FFGWMNFMJTXGCY-YVECIDJPSA-N 2 1 221.348 1.751 20 30 BDEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC[N@H+]1C ZINC000336731339 136218387 /nfs/dbraw/zinc/21/83/87/136218387.db2.gz FFGWMNFMJTXGCY-YVECIDJPSA-N 2 1 221.348 1.751 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+]C1CCC(C#N)CC1 ZINC000602529281 349579593 /nfs/dbraw/zinc/57/95/93/349579593.db2.gz ATGKYBGJPRFVND-UHFFFAOYSA-N 2 1 232.331 1.864 20 30 BDEDMP C[C@@H](CCC#N)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000602582137 349609965 /nfs/dbraw/zinc/60/99/65/349609965.db2.gz OFAJOWRLJHDRTH-LBPRGKRZSA-N 2 1 221.348 1.778 20 30 BDEDMP N#CCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363259687 136269125 /nfs/dbraw/zinc/26/91/25/136269125.db2.gz PZJWYKQTOGMPFU-HZSPNIEDSA-N 2 1 233.359 1.706 20 30 BDEDMP N#CCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363259687 136269126 /nfs/dbraw/zinc/26/91/26/136269126.db2.gz PZJWYKQTOGMPFU-HZSPNIEDSA-N 2 1 233.359 1.706 20 30 BDEDMP N#CCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363259687 136269127 /nfs/dbraw/zinc/26/91/27/136269127.db2.gz PZJWYKQTOGMPFU-HZSPNIEDSA-N 2 1 233.359 1.706 20 30 BDEDMP N#CCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363259687 136269128 /nfs/dbraw/zinc/26/91/28/136269128.db2.gz PZJWYKQTOGMPFU-HZSPNIEDSA-N 2 1 233.359 1.706 20 30 BDEDMP CC#CC[N@H+](C)CCCCn1cc[nH+]c1C ZINC000339754638 136280837 /nfs/dbraw/zinc/28/08/37/136280837.db2.gz UFHQYYOWSMWAFP-UHFFFAOYSA-N 2 1 219.332 1.927 20 30 BDEDMP CC#CC[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000339754638 136280838 /nfs/dbraw/zinc/28/08/38/136280838.db2.gz UFHQYYOWSMWAFP-UHFFFAOYSA-N 2 1 219.332 1.927 20 30 BDEDMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000600727931 344364297 /nfs/dbraw/zinc/36/42/97/344364297.db2.gz NQMDEVPHNCXXEK-UHFFFAOYSA-N 2 1 247.342 1.226 20 30 BDEDMP C[C@@H]1C[C@@H](NC[C@H](C#N)CCC#N)CC[N@H+]1C ZINC000583376647 344852274 /nfs/dbraw/zinc/85/22/74/344852274.db2.gz YQHNLSOJJRTIIG-AGIUHOORSA-N 2 1 234.347 1.502 20 30 BDEDMP CNC(=[NH2+])NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000081795448 345492719 /nfs/dbraw/zinc/49/27/19/345492719.db2.gz REUJBSNRXGLGRK-LBPRGKRZSA-N 2 1 248.374 1.431 20 30 BDEDMP CC1([NH3+])CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592485794 347787136 /nfs/dbraw/zinc/78/71/36/347787136.db2.gz ZMFFTUBXHALVJN-UHFFFAOYSA-N 2 1 229.327 1.871 20 30 BDEDMP CC1([NH3+])CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000592983097 347841771 /nfs/dbraw/zinc/84/17/71/347841771.db2.gz YERJTNWPCHKHCC-UHFFFAOYSA-N 2 1 229.327 1.871 20 30 BDEDMP C=CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623491368 362915848 /nfs/dbraw/zinc/91/58/48/362915848.db2.gz RCFAYNYCZPZODY-NEPJUHHUSA-N 2 1 226.364 1.386 20 30 BDEDMP C[N@@H+](CCC[NH3+])CCc1ccc(C#N)cc1 ZINC000595891014 348389940 /nfs/dbraw/zinc/38/99/40/348389940.db2.gz IQIRZMOEKBJFIQ-UHFFFAOYSA-N 2 1 217.316 1.381 20 30 BDEDMP C[N@@H+](CCc1ccc(C#N)cc1)C1CC([NH3+])C1 ZINC000595895627 348391675 /nfs/dbraw/zinc/39/16/75/348391675.db2.gz QVXUKEJRSHYWDY-UHFFFAOYSA-N 2 1 229.327 1.522 20 30 BDEDMP N#C[C@H]1CCC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000596651175 348606070 /nfs/dbraw/zinc/60/60/70/348606070.db2.gz ARPUYYSBRSPFBX-QCXCNERSSA-N 2 1 219.332 1.410 20 30 BDEDMP CC#CCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000155929415 191081885 /nfs/dbraw/zinc/08/18/85/191081885.db2.gz BUNWLJVRMNMZBO-CHWSQXEVSA-N 2 1 208.349 1.814 20 30 BDEDMP CC#CCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000155929415 191081886 /nfs/dbraw/zinc/08/18/86/191081886.db2.gz BUNWLJVRMNMZBO-CHWSQXEVSA-N 2 1 208.349 1.814 20 30 BDEDMP CC#CCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000155929415 191081889 /nfs/dbraw/zinc/08/18/89/191081889.db2.gz BUNWLJVRMNMZBO-CHWSQXEVSA-N 2 1 208.349 1.814 20 30 BDEDMP CC#CCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000155929415 191081891 /nfs/dbraw/zinc/08/18/91/191081891.db2.gz BUNWLJVRMNMZBO-CHWSQXEVSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CC[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000365629864 350403181 /nfs/dbraw/zinc/40/31/81/350403181.db2.gz SWUXTDMXYFATGE-NSHDSACASA-N 2 1 203.289 1.233 20 30 BDEDMP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000336654283 191123990 /nfs/dbraw/zinc/12/39/90/191123990.db2.gz GNZJEQPRVOCEPG-FRRDWIJNSA-N 2 1 223.364 1.997 20 30 BDEDMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336654283 191123994 /nfs/dbraw/zinc/12/39/94/191123994.db2.gz GNZJEQPRVOCEPG-FRRDWIJNSA-N 2 1 223.364 1.997 20 30 BDEDMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336654283 191123996 /nfs/dbraw/zinc/12/39/96/191123996.db2.gz GNZJEQPRVOCEPG-FRRDWIJNSA-N 2 1 223.364 1.997 20 30 BDEDMP C=CC[N@@H+](CCC)CCN1CC[NH+](CC)CC1 ZINC000344157734 354157643 /nfs/dbraw/zinc/15/76/43/354157643.db2.gz WLDJRQYQDWVPGI-UHFFFAOYSA-N 2 1 239.407 1.522 20 30 BDEDMP COc1cc(C[N@H+](C)C2CC([NH3+])C2)ccc1C#N ZINC000384900668 356794246 /nfs/dbraw/zinc/79/42/46/356794246.db2.gz NRYFXQNPFKZUIX-UHFFFAOYSA-N 2 1 245.326 1.488 20 30 BDEDMP COc1cc(C[N@@H+](C)C2CC([NH3+])C2)ccc1C#N ZINC000384900668 356794251 /nfs/dbraw/zinc/79/42/51/356794251.db2.gz NRYFXQNPFKZUIX-UHFFFAOYSA-N 2 1 245.326 1.488 20 30 BDEDMP C[C@H]([NH2+]CC(C)(C)CC#N)[C@H]1CCC[NH2+]1 ZINC000423169682 192605666 /nfs/dbraw/zinc/60/56/66/192605666.db2.gz KBEDXNVHVUSJAA-WDEREUQCSA-N 2 1 209.337 1.656 20 30 BDEDMP N#Cc1cccc(C[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000584411562 357914791 /nfs/dbraw/zinc/91/47/91/357914791.db2.gz IHHIZXMERJZIJD-ZDUSSCGKSA-N 2 1 215.300 1.385 20 30 BDEDMP C=CCC[C@@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000130973926 358655483 /nfs/dbraw/zinc/65/54/83/358655483.db2.gz WFGZFNKEIFGANT-MELADBBJSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000130973926 358655484 /nfs/dbraw/zinc/65/54/84/358655484.db2.gz WFGZFNKEIFGANT-MELADBBJSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000130973926 358655485 /nfs/dbraw/zinc/65/54/85/358655485.db2.gz WFGZFNKEIFGANT-MELADBBJSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000130973926 358655486 /nfs/dbraw/zinc/65/54/86/358655486.db2.gz WFGZFNKEIFGANT-MELADBBJSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000133072485 358744233 /nfs/dbraw/zinc/74/42/33/358744233.db2.gz HBWBOLYLOYQMMX-CQSZACIVSA-N 2 1 238.375 1.607 20 30 BDEDMP C=C(C)COCC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000090450859 360073391 /nfs/dbraw/zinc/07/33/91/360073391.db2.gz MKVMGIKYMDQYPD-KGLIPLIRSA-N 2 1 240.391 1.899 20 30 BDEDMP C=CCCC[N@H+](C)CCOCC[NH2+]C ZINC000629569047 361460742 /nfs/dbraw/zinc/46/07/42/361460742.db2.gz NVPAAQIFYXQMMJ-UHFFFAOYSA-N 2 1 200.326 1.120 20 30 BDEDMP C=CC[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000629650122 361546584 /nfs/dbraw/zinc/54/65/84/361546584.db2.gz OKHNSIHAKJQJBZ-OLZOCXBDSA-N 2 1 208.349 1.884 20 30 BDEDMP N#Cc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107573941 369354125 /nfs/dbraw/zinc/35/41/25/369354125.db2.gz WRVLXJXRGNNBQV-KBPBESRZSA-N 2 1 227.311 1.209 20 30 BDEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000600770093 369566110 /nfs/dbraw/zinc/56/61/10/369566110.db2.gz UPUUIQXYVNXURP-GDLCADMTSA-N 2 1 245.326 1.710 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000600770093 369566115 /nfs/dbraw/zinc/56/61/15/369566115.db2.gz UPUUIQXYVNXURP-GDLCADMTSA-N 2 1 245.326 1.710 20 30 BDEDMP C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1C[NH3+] ZINC000253202325 370164342 /nfs/dbraw/zinc/16/43/42/370164342.db2.gz YRVKGAMPTRUOKN-SWLSCSKDSA-N 2 1 243.354 1.975 20 30 BDEDMP C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1C[NH3+] ZINC000253202325 370164344 /nfs/dbraw/zinc/16/43/44/370164344.db2.gz YRVKGAMPTRUOKN-SWLSCSKDSA-N 2 1 243.354 1.975 20 30 BDEDMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000131424345 371602438 /nfs/dbraw/zinc/60/24/38/371602438.db2.gz XLIAPJSVDRBIQQ-FZMZJTMJSA-N 2 1 229.327 1.870 20 30 BDEDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(C#N)c1 ZINC000131424345 371602443 /nfs/dbraw/zinc/60/24/43/371602443.db2.gz XLIAPJSVDRBIQQ-FZMZJTMJSA-N 2 1 229.327 1.870 20 30 BDEDMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1C#N ZINC000216177777 371709819 /nfs/dbraw/zinc/70/98/19/371709819.db2.gz GBJIPTGJYYBLHI-RYUDHWBXSA-N 2 1 229.327 1.727 20 30 BDEDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1C#N ZINC000216177777 371709822 /nfs/dbraw/zinc/70/98/22/371709822.db2.gz GBJIPTGJYYBLHI-RYUDHWBXSA-N 2 1 229.327 1.727 20 30 BDEDMP C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CCCC[NH2+]1 ZINC000424379922 206038127 /nfs/dbraw/zinc/03/81/27/206038127.db2.gz WDAOTIPRSWVBET-YVECIDJPSA-N 2 1 221.348 1.799 20 30 BDEDMP C#CC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000370577303 384418888 /nfs/dbraw/zinc/41/88/88/384418888.db2.gz FKQQCWWENNYXPY-MELADBBJSA-N 2 1 236.359 1.099 20 30 BDEDMP C#CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000370577303 384418897 /nfs/dbraw/zinc/41/88/97/384418897.db2.gz FKQQCWWENNYXPY-MELADBBJSA-N 2 1 236.359 1.099 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CO[C@H](C)C2)CC1 ZINC000647181015 384554659 /nfs/dbraw/zinc/55/46/59/384554659.db2.gz FKMNFVUQSPTZPF-OCCSQVGLSA-N 2 1 238.375 1.794 20 30 BDEDMP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(C#N)cc1 ZINC000423318625 384538148 /nfs/dbraw/zinc/53/81/48/384538148.db2.gz DCRPPNSAGAODBJ-ZWNOBZJWSA-N 2 1 217.316 1.946 20 30 BDEDMP CCC#C[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000644784139 385166432 /nfs/dbraw/zinc/16/64/32/385166432.db2.gz ICCOQFCYASPWAI-KGLIPLIRSA-N 2 1 220.360 1.816 20 30 BDEDMP CCC#C[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000644784139 385166448 /nfs/dbraw/zinc/16/64/48/385166448.db2.gz ICCOQFCYASPWAI-KGLIPLIRSA-N 2 1 220.360 1.816 20 30 BDEDMP CCC#C[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000644784139 385166456 /nfs/dbraw/zinc/16/64/56/385166456.db2.gz ICCOQFCYASPWAI-KGLIPLIRSA-N 2 1 220.360 1.816 20 30 BDEDMP CCC#C[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000644784139 385166460 /nfs/dbraw/zinc/16/64/60/385166460.db2.gz ICCOQFCYASPWAI-KGLIPLIRSA-N 2 1 220.360 1.816 20 30 BDEDMP C=CCC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247647067 385361284 /nfs/dbraw/zinc/36/12/84/385361284.db2.gz WFGZFNKEIFGANT-RDBSUJKOSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247647067 385361290 /nfs/dbraw/zinc/36/12/90/385361290.db2.gz WFGZFNKEIFGANT-RDBSUJKOSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000247647067 385361294 /nfs/dbraw/zinc/36/12/94/385361294.db2.gz WFGZFNKEIFGANT-RDBSUJKOSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000247647067 385361301 /nfs/dbraw/zinc/36/13/01/385361301.db2.gz WFGZFNKEIFGANT-RDBSUJKOSA-N 2 1 240.391 1.728 20 30 BDEDMP CC#CCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000185095802 385720337 /nfs/dbraw/zinc/72/03/37/385720337.db2.gz ABNBXJLQDAVNPZ-UHFFFAOYSA-N 2 1 208.349 1.862 20 30 BDEDMP C#CCN(CC#CC[N@@H+](CC#C)C1CC1)C1CC1 ZINC000284155013 386443713 /nfs/dbraw/zinc/44/37/13/386443713.db2.gz PRHLHFGOUMZQPQ-UHFFFAOYSA-N 2 1 240.350 1.185 20 30 BDEDMP C#CCN(CC#CCN(CC#C)C1CC1)C1CC1 ZINC000284155013 386443722 /nfs/dbraw/zinc/44/37/22/386443722.db2.gz PRHLHFGOUMZQPQ-UHFFFAOYSA-N 2 1 240.350 1.185 20 30 BDEDMP C#CC[NH+](CC#CC[N@@H+](CC#C)C1CC1)C1CC1 ZINC000284155013 386443729 /nfs/dbraw/zinc/44/37/29/386443729.db2.gz PRHLHFGOUMZQPQ-UHFFFAOYSA-N 2 1 240.350 1.185 20 30 BDEDMP C#CC[NH+](CC#CC[N@H+](CC#C)C1CC1)C1CC1 ZINC000284155013 386443736 /nfs/dbraw/zinc/44/37/36/386443736.db2.gz PRHLHFGOUMZQPQ-UHFFFAOYSA-N 2 1 240.350 1.185 20 30 BDEDMP C=C(C)[C@@H](CO)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000645187123 386851070 /nfs/dbraw/zinc/85/10/70/386851070.db2.gz XVKBGQKZFIJPNI-ZIAGYGMSSA-N 2 1 238.375 1.341 20 30 BDEDMP C=C(C)[C@@H](CO)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000645187123 386851076 /nfs/dbraw/zinc/85/10/76/386851076.db2.gz XVKBGQKZFIJPNI-ZIAGYGMSSA-N 2 1 238.375 1.341 20 30 BDEDMP C=C(C)[C@@H](CO)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000645187123 386851077 /nfs/dbraw/zinc/85/10/77/386851077.db2.gz XVKBGQKZFIJPNI-ZIAGYGMSSA-N 2 1 238.375 1.341 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000392846118 387292764 /nfs/dbraw/zinc/29/27/64/387292764.db2.gz UBLBKXNEHXSSRI-KBPBESRZSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000392846118 387292769 /nfs/dbraw/zinc/29/27/69/387292769.db2.gz UBLBKXNEHXSSRI-KBPBESRZSA-N 2 1 238.375 1.346 20 30 BDEDMP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423517850 387349783 /nfs/dbraw/zinc/34/97/83/387349783.db2.gz OHURVYBHTUJNMA-KGLIPLIRSA-N 2 1 239.407 1.615 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1COC(C)(C)C1 ZINC000396853421 387503417 /nfs/dbraw/zinc/50/34/17/387503417.db2.gz NQPLQUBSIZSPQF-GFCCVEGCSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1COC(C)(C)C1 ZINC000396853421 387503419 /nfs/dbraw/zinc/50/34/19/387503419.db2.gz NQPLQUBSIZSPQF-GFCCVEGCSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000396853422 387504156 /nfs/dbraw/zinc/50/41/56/387504156.db2.gz NQPLQUBSIZSPQF-LBPRGKRZSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000396853422 387504160 /nfs/dbraw/zinc/50/41/60/387504160.db2.gz NQPLQUBSIZSPQF-LBPRGKRZSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[NH+](C)Cc1ccccc1C[N@@H+](C)CC#C ZINC000276906411 387525531 /nfs/dbraw/zinc/52/55/31/387525531.db2.gz FAVDCYQRVPLGKN-UHFFFAOYSA-N 2 1 240.350 1.817 20 30 BDEDMP C=C(C)CN1CCC([NH2+][C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422983487 387794019 /nfs/dbraw/zinc/79/40/19/387794019.db2.gz ZRPVBJJKPPROGP-OLZOCXBDSA-N 2 1 239.407 1.742 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423156468 387936348 /nfs/dbraw/zinc/93/63/48/387936348.db2.gz SLTAEPRBFGBVMM-RVMXOQNASA-N 2 1 224.348 1.450 20 30 BDEDMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000423165504 387947887 /nfs/dbraw/zinc/94/78/87/387947887.db2.gz YEQAFIYWLJYHGR-VOAKCMCISA-N 2 1 221.348 1.656 20 30 BDEDMP CC(C)[N@H+](C)CC1CC[NH+](CCC#N)CC1 ZINC000524156040 388348749 /nfs/dbraw/zinc/34/87/49/388348749.db2.gz CXQJFXFXNWVCRT-UHFFFAOYSA-N 2 1 223.364 1.952 20 30 BDEDMP CC(C)[N@@H+](C)CC1CC[NH+](CCC#N)CC1 ZINC000524156040 388348753 /nfs/dbraw/zinc/34/87/53/388348753.db2.gz CXQJFXFXNWVCRT-UHFFFAOYSA-N 2 1 223.364 1.952 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000393903050 388445947 /nfs/dbraw/zinc/44/59/47/388445947.db2.gz ITCASMICFCTXOV-JHJVBQTASA-N 2 1 208.349 1.576 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000393903050 388445951 /nfs/dbraw/zinc/44/59/51/388445951.db2.gz ITCASMICFCTXOV-JHJVBQTASA-N 2 1 208.349 1.576 20 30 BDEDMP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000530214779 388629019 /nfs/dbraw/zinc/62/90/19/388629019.db2.gz CTAAIHGXFUMZLP-UPJWGTAASA-N 2 1 233.359 1.943 20 30 BDEDMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000423407378 388692558 /nfs/dbraw/zinc/69/25/58/388692558.db2.gz VPPNUNGOHABYCT-TVQRCGJNSA-N 2 1 215.300 1.482 20 30 BDEDMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423441638 388692888 /nfs/dbraw/zinc/69/28/88/388692888.db2.gz JDIZKNNKZRHCKM-VWYCJHECSA-N 2 1 217.316 1.945 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+]CC2(C)COC2)CC1 ZINC000352751714 134151756 /nfs/dbraw/zinc/15/17/56/134151756.db2.gz WHUYIFTXBIZYTF-UHFFFAOYSA-N 2 1 238.375 1.653 20 30 BDEDMP C#CCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371185209 134227509 /nfs/dbraw/zinc/22/75/09/134227509.db2.gz QTVSERKVRDLAGI-MGPQQGTHSA-N 2 1 236.359 1.193 20 30 BDEDMP C=CCC[C@@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000305082835 134239571 /nfs/dbraw/zinc/23/95/71/134239571.db2.gz MXJGEXBPJLYTAP-ZIAGYGMSSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000305082835 134239572 /nfs/dbraw/zinc/23/95/72/134239572.db2.gz MXJGEXBPJLYTAP-ZIAGYGMSSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000305082835 134239573 /nfs/dbraw/zinc/23/95/73/134239573.db2.gz MXJGEXBPJLYTAP-ZIAGYGMSSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000378245985 134245559 /nfs/dbraw/zinc/24/55/59/134245559.db2.gz FDZVZKJVDVUTGX-HZSPNIEDSA-N 2 1 238.375 1.746 20 30 BDEDMP C[N@H+](CCCC#N)CCC[NH+]1CCCC1 ZINC000337282352 135010682 /nfs/dbraw/zinc/01/06/82/135010682.db2.gz XIDOWGRTENHQBQ-UHFFFAOYSA-N 2 1 209.337 1.708 20 30 BDEDMP C[N@@H+](CCCC#N)CCC[NH+]1CCCC1 ZINC000337282352 135010685 /nfs/dbraw/zinc/01/06/85/135010685.db2.gz XIDOWGRTENHQBQ-UHFFFAOYSA-N 2 1 209.337 1.708 20 30 BDEDMP C=CCOCCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000337283690 135011041 /nfs/dbraw/zinc/01/10/41/135011041.db2.gz YEFLMWAZUIIUJT-UHFFFAOYSA-N 2 1 240.391 1.997 20 30 BDEDMP [NH2+]=C(NCC[N@H+]1CC=CCC1)Nc1ccccn1 ZINC000262440377 135118897 /nfs/dbraw/zinc/11/88/97/135118897.db2.gz HKBSWFILRWWYEY-UHFFFAOYSA-N 2 1 245.330 1.070 20 30 BDEDMP [NH2+]=C(NCC[N@@H+]1CC=CCC1)Nc1ccccn1 ZINC000262440377 135118899 /nfs/dbraw/zinc/11/88/99/135118899.db2.gz HKBSWFILRWWYEY-UHFFFAOYSA-N 2 1 245.330 1.070 20 30 BDEDMP Cc1[nH+]ccn1CCCNC(=[NH2+])NCC(C)C ZINC000264135422 135134934 /nfs/dbraw/zinc/13/49/34/135134934.db2.gz ZNAWGKJRBPVXTF-UHFFFAOYSA-N 2 1 237.351 1.142 20 30 BDEDMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(C#N)cc1 ZINC000261561747 135202856 /nfs/dbraw/zinc/20/28/56/135202856.db2.gz ATTZMYLLAKVHQY-JTQLQIEISA-N 2 1 217.316 1.946 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261587042 135228368 /nfs/dbraw/zinc/22/83/68/135228368.db2.gz UTZUUDUAOVKXTP-RRFJBIMHSA-N 2 1 241.338 1.727 20 30 BDEDMP C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261867326 135258100 /nfs/dbraw/zinc/25/81/00/135258100.db2.gz CTEFPMDYJZHJGX-REWJHTLYSA-N 2 1 238.375 1.698 20 30 BDEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000262004397 135271780 /nfs/dbraw/zinc/27/17/80/135271780.db2.gz QWYKTANTMBDMML-GFCCVEGCSA-N 2 1 238.379 1.033 20 30 BDEDMP CN(C)C(=[NH+]CC[C@H]1CCC[N@@H+](C)C1)N(C)C ZINC000263145380 135335439 /nfs/dbraw/zinc/33/54/39/135335439.db2.gz OTULLSMKKNRGCS-GFCCVEGCSA-N 2 1 240.395 1.198 20 30 BDEDMP C[N@@H+]1CC=C(CNC(=[NH2+])NC2CCCC2)CC1 ZINC000263166194 135336503 /nfs/dbraw/zinc/33/65/03/135336503.db2.gz QDUURDARWWUXTO-UHFFFAOYSA-N 2 1 236.363 1.095 20 30 BDEDMP CNC(NC[C@@H](C)[N@H+](C)Cc1ccccc1)=[NH+]C ZINC000267434969 135363860 /nfs/dbraw/zinc/36/38/60/135363860.db2.gz NMYOASHPSWNIQA-GFCCVEGCSA-N 2 1 248.374 1.302 20 30 BDEDMP CNC(NC[C@@H](C)[N@@H+](C)Cc1ccccc1)=[NH+]C ZINC000267434969 135363862 /nfs/dbraw/zinc/36/38/62/135363862.db2.gz NMYOASHPSWNIQA-GFCCVEGCSA-N 2 1 248.374 1.302 20 30 BDEDMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CC[NH2+]1 ZINC000335384949 136088525 /nfs/dbraw/zinc/08/85/25/136088525.db2.gz ISPRSULPGASORF-FZMZJTMJSA-N 2 1 229.327 1.788 20 30 BDEDMP C=CCOCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000643479653 398106804 /nfs/dbraw/zinc/10/68/04/398106804.db2.gz XYEMXKYKWWSTME-SNVBAGLBSA-N 2 1 221.304 1.347 20 30 BDEDMP C=C(C)C[N@H+](CC)C[C@H](O)C[NH+](C)C(C)C ZINC000659829406 411312345 /nfs/dbraw/zinc/31/23/45/411312345.db2.gz POWUZBKIUURYCH-CYBMUJFWSA-N 2 1 228.380 1.586 20 30 BDEDMP C=C(C)C[N@@H+](CC)C[C@H](O)C[NH+](C)C(C)C ZINC000659829406 411312347 /nfs/dbraw/zinc/31/23/47/411312347.db2.gz POWUZBKIUURYCH-CYBMUJFWSA-N 2 1 228.380 1.586 20 30 BDEDMP C=C(C)C[NH+](CC)C[C@H](O)C[N@H+](C)C(C)C ZINC000659829406 411312350 /nfs/dbraw/zinc/31/23/50/411312350.db2.gz POWUZBKIUURYCH-CYBMUJFWSA-N 2 1 228.380 1.586 20 30 BDEDMP C=C(C)C[NH+](CC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000659829406 411312352 /nfs/dbraw/zinc/31/23/52/411312352.db2.gz POWUZBKIUURYCH-CYBMUJFWSA-N 2 1 228.380 1.586 20 30 BDEDMP C=CCC[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000656702650 411338016 /nfs/dbraw/zinc/33/80/16/411338016.db2.gz FZRGDZBUPAMXBH-HNNXBMFYSA-N 2 1 248.370 1.645 20 30 BDEDMP C=CCC[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000656702650 411338020 /nfs/dbraw/zinc/33/80/20/411338020.db2.gz FZRGDZBUPAMXBH-HNNXBMFYSA-N 2 1 248.370 1.645 20 30 BDEDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000037643898 170007748 /nfs/dbraw/zinc/00/77/48/170007748.db2.gz MYZCOVOGOMSUDL-HNNXBMFYSA-N 2 1 243.354 1.990 20 30 BDEDMP C=C(C)[C@@H](CO)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660658697 411614136 /nfs/dbraw/zinc/61/41/36/411614136.db2.gz GGPIZDNZZYHVGG-ZIAGYGMSSA-N 2 1 238.375 1.341 20 30 BDEDMP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660658697 411614137 /nfs/dbraw/zinc/61/41/37/411614137.db2.gz GGPIZDNZZYHVGG-ZIAGYGMSSA-N 2 1 238.375 1.341 20 30 BDEDMP C=C(C)[C@@H](CO)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660658697 411614139 /nfs/dbraw/zinc/61/41/39/411614139.db2.gz GGPIZDNZZYHVGG-ZIAGYGMSSA-N 2 1 238.375 1.341 20 30 BDEDMP C=CC[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000661380174 411762122 /nfs/dbraw/zinc/76/21/22/411762122.db2.gz BSHIWLWFFATOPY-UONOGXRCSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000661380174 411762126 /nfs/dbraw/zinc/76/21/26/411762126.db2.gz BSHIWLWFFATOPY-UONOGXRCSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CC[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000661380174 411762128 /nfs/dbraw/zinc/76/21/28/411762128.db2.gz BSHIWLWFFATOPY-UONOGXRCSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662147851 412009004 /nfs/dbraw/zinc/00/90/04/412009004.db2.gz HDWGWQCHZVTUDU-ZDUSSCGKSA-N 2 1 224.348 1.094 20 30 BDEDMP C=CCCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662159003 412013035 /nfs/dbraw/zinc/01/30/35/412013035.db2.gz WHJSDYCAYOFXPI-AWEZNQCLSA-N 2 1 238.375 1.484 20 30 BDEDMP C=CC[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000662299563 412086610 /nfs/dbraw/zinc/08/66/10/412086610.db2.gz ROMXOZKCXFVQHW-STQMWFEESA-N 2 1 208.349 1.884 20 30 BDEDMP C=CCOCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000665262923 412206128 /nfs/dbraw/zinc/20/61/28/412206128.db2.gz CBQMEQGQGATORV-NWDGAFQWSA-N 2 1 212.337 1.167 20 30 BDEDMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193605848 173198485 /nfs/dbraw/zinc/19/84/85/173198485.db2.gz HLWJDWGTAKVFGB-GASCZTMLSA-N 2 1 241.338 1.552 20 30 BDEDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193605848 173198489 /nfs/dbraw/zinc/19/84/89/173198489.db2.gz HLWJDWGTAKVFGB-GASCZTMLSA-N 2 1 241.338 1.552 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193605848 173198491 /nfs/dbraw/zinc/19/84/91/173198491.db2.gz HLWJDWGTAKVFGB-GASCZTMLSA-N 2 1 241.338 1.552 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193605848 173198492 /nfs/dbraw/zinc/19/84/92/173198492.db2.gz HLWJDWGTAKVFGB-GASCZTMLSA-N 2 1 241.338 1.552 20 30 BDEDMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000071142236 173381769 /nfs/dbraw/zinc/38/17/69/173381769.db2.gz BREBLHDJBQRZIX-CQSZACIVSA-N 2 1 229.327 1.600 20 30 BDEDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000071142236 173381770 /nfs/dbraw/zinc/38/17/70/173381770.db2.gz BREBLHDJBQRZIX-CQSZACIVSA-N 2 1 229.327 1.600 20 30 BDEDMP CCC#C[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000680866219 487661771 /nfs/dbraw/zinc/66/17/71/487661771.db2.gz XUCPXSMDEAYKLR-QWHCGFSZSA-N 2 1 208.349 1.672 20 30 BDEDMP CCC#C[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000680866219 487661775 /nfs/dbraw/zinc/66/17/75/487661775.db2.gz XUCPXSMDEAYKLR-QWHCGFSZSA-N 2 1 208.349 1.672 20 30 BDEDMP C#CC[N@H+](C)CCCN[C@H](C)c1nccn1C ZINC000328211183 324239865 /nfs/dbraw/zinc/23/98/65/324239865.db2.gz WMRUJMBLYWWDJW-GFCCVEGCSA-N 2 1 234.347 1.026 20 30 BDEDMP C=C(C)[C@H](CO)[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000677480320 488049431 /nfs/dbraw/zinc/04/94/31/488049431.db2.gz XBKIZDQKIOTEBT-KGLIPLIRSA-N 2 1 240.391 1.587 20 30 BDEDMP C=C(C)[C@H](CO)[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000677480320 488049437 /nfs/dbraw/zinc/04/94/37/488049437.db2.gz XBKIZDQKIOTEBT-KGLIPLIRSA-N 2 1 240.391 1.587 20 30 BDEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000677480320 488049441 /nfs/dbraw/zinc/04/94/41/488049441.db2.gz XBKIZDQKIOTEBT-KGLIPLIRSA-N 2 1 240.391 1.587 20 30 BDEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000677480320 488049445 /nfs/dbraw/zinc/04/94/45/488049445.db2.gz XBKIZDQKIOTEBT-KGLIPLIRSA-N 2 1 240.391 1.587 20 30 BDEDMP COCC#CC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000677816907 488130260 /nfs/dbraw/zinc/13/02/60/488130260.db2.gz DLPUCMXFBDNMMV-CYBMUJFWSA-N 2 1 233.315 1.170 20 30 BDEDMP COCC#CCN1CCC[C@@H](n2ccnc2)C1 ZINC000677816907 488130265 /nfs/dbraw/zinc/13/02/65/488130265.db2.gz DLPUCMXFBDNMMV-CYBMUJFWSA-N 2 1 233.315 1.170 20 30 BDEDMP C[NH+](C)[C@H]1CCC[N@@H+](CCOCCC#N)CC1 ZINC000339126226 536138846 /nfs/dbraw/zinc/13/88/46/536138846.db2.gz URNVJCWMXLENEW-ZDUSSCGKSA-N 2 1 239.363 1.333 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000491165937 526826728 /nfs/dbraw/zinc/82/67/28/526826728.db2.gz ODLYPNAPEPQTNQ-KGLIPLIRSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000491165937 526826732 /nfs/dbraw/zinc/82/67/32/526826732.db2.gz ODLYPNAPEPQTNQ-KGLIPLIRSA-N 2 1 238.375 1.346 20 30 BDEDMP CC[NH+](CC#CC[N@H+](CC)C1CC1)C1CC1 ZINC000341846237 535766702 /nfs/dbraw/zinc/76/67/02/535766702.db2.gz GKYIAPRONLEMDO-UHFFFAOYSA-N 2 1 220.360 1.958 20 30 BDEDMP C[NH+](C)[C@H]1CCC[N@H+](CCOCCC#N)CC1 ZINC000339126226 536138845 /nfs/dbraw/zinc/13/88/45/536138845.db2.gz URNVJCWMXLENEW-ZDUSSCGKSA-N 2 1 239.363 1.333 20 30 BDEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000852743893 583016363 /nfs/dbraw/zinc/01/63/63/583016363.db2.gz NFSHRFNCWGPPFP-OAHLLOKOSA-N 2 1 243.354 1.771 20 30 BDEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CC1)CC2 ZINC000902404900 584588796 /nfs/dbraw/zinc/58/87/96/584588796.db2.gz GTSGMXWCPHBQHW-ZDUSSCGKSA-N 2 1 227.311 1.626 20 30 BDEDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903447434 584770796 /nfs/dbraw/zinc/77/07/96/584770796.db2.gz RZBMMXSNERRWEF-RYSNWHEDSA-N 2 1 235.375 1.985 20 30 BDEDMP C=CCCC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815718 584800829 /nfs/dbraw/zinc/80/08/29/584800829.db2.gz QQEGLQCNTCSAJO-UHFFFAOYSA-N 2 1 238.375 1.797 20 30 BDEDMP C#CCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000760842305 585399241 /nfs/dbraw/zinc/39/92/41/585399241.db2.gz GEZSKXZGAOPGCC-QWHCGFSZSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000760842305 585399242 /nfs/dbraw/zinc/39/92/42/585399242.db2.gz GEZSKXZGAOPGCC-QWHCGFSZSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000760842305 585399243 /nfs/dbraw/zinc/39/92/43/585399243.db2.gz GEZSKXZGAOPGCC-QWHCGFSZSA-N 2 1 208.349 1.814 20 30 BDEDMP CC(CCCC[NH+](C)C)=NN1CC[NH+](C)CC1 ZINC000781115608 585790498 /nfs/dbraw/zinc/79/04/98/585790498.db2.gz RLEYDWCAEANMKM-UHFFFAOYSA-N 2 1 240.395 1.342 20 30 BDEDMP CN(C)c1cc[nH+]cc1C=[NH+][N-]c1[nH+]ccn1C ZINC000790299834 585962739 /nfs/dbraw/zinc/96/27/39/585962739.db2.gz KMGPVGMJMMODRR-UHFFFAOYSA-N 2 1 244.302 1.327 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000815652548 586690540 /nfs/dbraw/zinc/69/05/40/586690540.db2.gz HVHWNHGOLGZOIS-KBPBESRZSA-N 2 1 233.359 1.613 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000815652548 586690542 /nfs/dbraw/zinc/69/05/42/586690542.db2.gz HVHWNHGOLGZOIS-KBPBESRZSA-N 2 1 233.359 1.613 20 30 BDEDMP COc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1C#N ZINC000817915080 586839833 /nfs/dbraw/zinc/83/98/33/586839833.db2.gz HSDLPBIBRCIXPH-SNVBAGLBSA-N 2 1 245.326 1.264 20 30 BDEDMP N#CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000817920041 586839936 /nfs/dbraw/zinc/83/99/36/586839936.db2.gz ZKYQYIOQQQCSPU-KGLIPLIRSA-N 2 1 245.326 1.558 20 30 BDEDMP N#CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000817920040 586840381 /nfs/dbraw/zinc/84/03/81/586840381.db2.gz ZKYQYIOQQQCSPU-KBPBESRZSA-N 2 1 245.326 1.558 20 30 BDEDMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(OCC#N)cc1 ZINC000817961147 586851534 /nfs/dbraw/zinc/85/15/34/586851534.db2.gz XTUWAAKIPSBJIC-LLVKDONJSA-N 2 1 247.342 1.977 20 30 BDEDMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817970261 586857973 /nfs/dbraw/zinc/85/79/73/586857973.db2.gz PXNKQAHXIMGBKM-QWRGUYRKSA-N 2 1 233.315 1.587 20 30 BDEDMP C#C[C@H]1CCC[N@@H+](CCn2ccnc2)C1 ZINC000847021732 588302533 /nfs/dbraw/zinc/30/25/33/588302533.db2.gz OGNLROKGDJHGSM-LBPRGKRZSA-N 2 1 203.289 1.228 20 30 BDEDMP CCC[N@H+]1CC[C@H](CNC(NC2CC2)=[NH+]C)C1 ZINC000848997502 588429706 /nfs/dbraw/zinc/42/97/06/588429706.db2.gz MONIWLIRDXEPLY-LLVKDONJSA-N 2 1 238.379 1.046 20 30 BDEDMP C=C(C)CNC(=[NH2+])NCC[N@H+](C)CCCC ZINC000849005785 588432708 /nfs/dbraw/zinc/43/27/08/588432708.db2.gz QVQJHTSHQWYKDH-UHFFFAOYSA-N 2 1 226.368 1.408 20 30 BDEDMP CCC[N@H+]1CCC[C@H]1CNC(NCC)=[NH+]CC ZINC000849027897 588441393 /nfs/dbraw/zinc/44/13/93/588441393.db2.gz PKSHSSZOURGAHY-LBPRGKRZSA-N 2 1 240.395 1.436 20 30 BDEDMP C#CCCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000852104813 588663821 /nfs/dbraw/zinc/66/38/21/588663821.db2.gz GAWWGMVZUHBQCG-CQSZACIVSA-N 2 1 220.360 1.818 20 30 BDEDMP C#CCCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000852104813 588663822 /nfs/dbraw/zinc/66/38/22/588663822.db2.gz GAWWGMVZUHBQCG-CQSZACIVSA-N 2 1 220.360 1.818 20 30 BDEDMP C#CCCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000852104813 588663823 /nfs/dbraw/zinc/66/38/23/588663823.db2.gz GAWWGMVZUHBQCG-CQSZACIVSA-N 2 1 220.360 1.818 20 30 BDEDMP C[NH+](C)C1(C)CCC(=[NH+]n2cccn2)CC1 ZINC000872393046 589932020 /nfs/dbraw/zinc/93/20/20/589932020.db2.gz JBVBJEZRRZVFJV-UHFFFAOYSA-N 2 1 220.320 1.982 20 30 BDEDMP C[C@H](CCC#N)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877741030 590408765 /nfs/dbraw/zinc/40/87/65/590408765.db2.gz MEDVOTAEMZVZHZ-MGPQQGTHSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877741030 590408767 /nfs/dbraw/zinc/40/87/67/590408767.db2.gz MEDVOTAEMZVZHZ-MGPQQGTHSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877741030 590408769 /nfs/dbraw/zinc/40/87/69/590408769.db2.gz MEDVOTAEMZVZHZ-MGPQQGTHSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877741030 590408772 /nfs/dbraw/zinc/40/87/72/590408772.db2.gz MEDVOTAEMZVZHZ-MGPQQGTHSA-N 2 1 235.375 1.952 20 30 BDEDMP C#CCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000879203043 590713565 /nfs/dbraw/zinc/71/35/65/590713565.db2.gz WTGQEZXYAKCNHM-UHFFFAOYSA-N 2 1 220.360 1.960 20 30 BDEDMP C[N@@H+]1CC[C@@H]2C[NH+](CCCC#N)CC[C@H]21 ZINC000879572015 590810096 /nfs/dbraw/zinc/81/00/96/590810096.db2.gz MYDSDLXQEPOAIH-VXGBXAGGSA-N 2 1 207.321 1.316 20 30 BDEDMP C[N@H+]1CC[C@@H]2C[NH+](CCCC#N)CC[C@H]21 ZINC000879572015 590810099 /nfs/dbraw/zinc/81/00/99/590810099.db2.gz MYDSDLXQEPOAIH-VXGBXAGGSA-N 2 1 207.321 1.316 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@H+](CCCC#N)CC[C@H]21 ZINC000879572015 590810102 /nfs/dbraw/zinc/81/01/02/590810102.db2.gz MYDSDLXQEPOAIH-VXGBXAGGSA-N 2 1 207.321 1.316 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCCC#N)CC[C@H]21 ZINC000879572015 590810104 /nfs/dbraw/zinc/81/01/04/590810104.db2.gz MYDSDLXQEPOAIH-VXGBXAGGSA-N 2 1 207.321 1.316 20 30 BDEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579781 590818293 /nfs/dbraw/zinc/81/82/93/590818293.db2.gz AZSDEZDSVCOXQG-CHWSQXEVSA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579781 590818296 /nfs/dbraw/zinc/81/82/96/590818296.db2.gz AZSDEZDSVCOXQG-CHWSQXEVSA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579781 590818299 /nfs/dbraw/zinc/81/82/99/590818299.db2.gz AZSDEZDSVCOXQG-CHWSQXEVSA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579781 590818303 /nfs/dbraw/zinc/81/83/03/590818303.db2.gz AZSDEZDSVCOXQG-CHWSQXEVSA-N 2 1 208.349 1.979 20 30 BDEDMP C#CC[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000886365294 592217381 /nfs/dbraw/zinc/21/73/81/592217381.db2.gz FMPKPWMWTVYCGU-KGLIPLIRSA-N 2 1 238.375 1.033 20 30 BDEDMP C#CC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000886365294 592217385 /nfs/dbraw/zinc/21/73/85/592217385.db2.gz FMPKPWMWTVYCGU-KGLIPLIRSA-N 2 1 238.375 1.033 20 30 BDEDMP C#CC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000886365294 592217388 /nfs/dbraw/zinc/21/73/88/592217388.db2.gz FMPKPWMWTVYCGU-KGLIPLIRSA-N 2 1 238.375 1.033 20 30 BDEDMP CCCNC(=[NH2+])NCC[N@H+]1CCC[C@H](C)C1 ZINC000104168229 592602475 /nfs/dbraw/zinc/60/24/75/592602475.db2.gz DQGJTPGWIAYCBC-NSHDSACASA-N 2 1 226.368 1.033 20 30 BDEDMP CCC[N@@H+](CC)CCNC(=[NH2+])N1CCCCC1 ZINC000083052970 631417128 /nfs/dbraw/zinc/41/71/28/631417128.db2.gz LYBZXPLXHJUGKK-UHFFFAOYSA-N 2 1 240.395 1.519 20 30 BDEDMP C#C[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000934514514 631894431 /nfs/dbraw/zinc/89/44/31/631894431.db2.gz IMTKSNLMGZBGDE-KGLIPLIRSA-N 2 1 220.360 1.958 20 30 BDEDMP C#C[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000934514514 631894436 /nfs/dbraw/zinc/89/44/36/631894436.db2.gz IMTKSNLMGZBGDE-KGLIPLIRSA-N 2 1 220.360 1.958 20 30 BDEDMP C#C[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000934514514 631894441 /nfs/dbraw/zinc/89/44/41/631894441.db2.gz IMTKSNLMGZBGDE-KGLIPLIRSA-N 2 1 220.360 1.958 20 30 BDEDMP C#C[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000934514514 631894447 /nfs/dbraw/zinc/89/44/47/631894447.db2.gz IMTKSNLMGZBGDE-KGLIPLIRSA-N 2 1 220.360 1.958 20 30 BDEDMP CCNC(NCC[N@H+](CC)C1CC1)=[NH+]CC ZINC000066246548 632861707 /nfs/dbraw/zinc/86/17/07/632861707.db2.gz VRBOZBNOFIJGDU-UHFFFAOYSA-N 2 1 226.368 1.046 20 30 BDEDMP CCNC(NCC[N@@H+](CC)C1CC1)=[NH+]CC ZINC000066246548 632861709 /nfs/dbraw/zinc/86/17/09/632861709.db2.gz VRBOZBNOFIJGDU-UHFFFAOYSA-N 2 1 226.368 1.046 20 30 BDEDMP C#CCCC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000178055199 632935329 /nfs/dbraw/zinc/93/53/29/632935329.db2.gz LMDYZYMCBOPNDU-CHWSQXEVSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccsc1 ZINC000327993954 633213728 /nfs/dbraw/zinc/21/37/28/633213728.db2.gz MAHMZWCGMSGXSY-UHFFFAOYSA-N 2 1 222.357 1.793 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccsc1 ZINC000327993954 633213732 /nfs/dbraw/zinc/21/37/32/633213732.db2.gz MAHMZWCGMSGXSY-UHFFFAOYSA-N 2 1 222.357 1.793 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000328210652 633741774 /nfs/dbraw/zinc/74/17/74/633741774.db2.gz WKOIWBCODONGRS-RYUDHWBXSA-N 2 1 226.389 1.425 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000328210652 633741776 /nfs/dbraw/zinc/74/17/76/633741776.db2.gz WKOIWBCODONGRS-RYUDHWBXSA-N 2 1 226.389 1.425 20 30 BDEDMP C=CC[N@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000893560268 635159849 /nfs/dbraw/zinc/15/98/49/635159849.db2.gz YSYVUARGFPQFSU-UHFFFAOYSA-N 2 1 208.349 1.979 20 30 BDEDMP N#CC1CCC(C[N@@H+]2CC3CC2(C[NH3+])C3)CC1 ZINC000903463572 637364354 /nfs/dbraw/zinc/36/43/54/637364354.db2.gz FHPUCINNFZLHRT-UHFFFAOYSA-N 2 1 233.359 1.739 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]C[C@](C)(O)C(F)F)CC1 ZINC000905096287 637633984 /nfs/dbraw/zinc/63/39/84/637633984.db2.gz LNAOSSWIEIEGQA-LBPRGKRZSA-N 2 1 248.317 1.243 20 30 BDEDMP C=C(C)C[N@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000906649530 638228327 /nfs/dbraw/zinc/22/83/27/638228327.db2.gz FUUUDBKICBHQPZ-ZDUSSCGKSA-N 2 1 226.364 1.341 20 30 BDEDMP C=C(C)C[N@@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000906649530 638228329 /nfs/dbraw/zinc/22/83/29/638228329.db2.gz FUUUDBKICBHQPZ-ZDUSSCGKSA-N 2 1 226.364 1.341 20 30 BDEDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C#N)o3)C[C@@H]2C1 ZINC000931442662 640208128 /nfs/dbraw/zinc/20/81/28/640208128.db2.gz LDAIYYVOHIRYDA-NEPJUHHUSA-N 2 1 245.326 1.535 20 30 BDEDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C#N)o3)C[C@@H]2C1 ZINC000931442662 640208131 /nfs/dbraw/zinc/20/81/31/640208131.db2.gz LDAIYYVOHIRYDA-NEPJUHHUSA-N 2 1 245.326 1.535 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C#N)o3)C[C@@H]2C1 ZINC000931442662 640208135 /nfs/dbraw/zinc/20/81/35/640208135.db2.gz LDAIYYVOHIRYDA-NEPJUHHUSA-N 2 1 245.326 1.535 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C#N)o3)C[C@@H]2C1 ZINC000931442662 640208140 /nfs/dbraw/zinc/20/81/40/640208140.db2.gz LDAIYYVOHIRYDA-NEPJUHHUSA-N 2 1 245.326 1.535 20 30 BDEDMP C[C@H]1CCCC[N@H+]1CCCCNC(=[NH2+])N(C)C ZINC000170903770 640935816 /nfs/dbraw/zinc/93/58/16/640935816.db2.gz YIABCQPWZTYINT-LBPRGKRZSA-N 2 1 240.395 1.517 20 30 BDEDMP C#CCCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181305247 642861030 /nfs/dbraw/zinc/86/10/30/642861030.db2.gz YBHPAMSOFYONND-OLZOCXBDSA-N 2 1 208.349 1.862 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000923280818 644313768 /nfs/dbraw/zinc/31/37/68/644313768.db2.gz JOFLOJAXOLLJKV-AGIUHOORSA-N 2 1 226.364 1.515 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923281573 644314844 /nfs/dbraw/zinc/31/48/44/644314844.db2.gz NDWJPPOZOZWRPH-CQSZACIVSA-N 2 1 238.375 1.530 20 30 BDEDMP CCCCC(N)=[NH+]OCC[NH+]1CCCCC1 ZINC000194387820 644317927 /nfs/dbraw/zinc/31/79/27/644317927.db2.gz FNWFTHPHQWITLS-UHFFFAOYSA-N 2 1 227.352 1.951 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000923376545 644390772 /nfs/dbraw/zinc/39/07/72/644390772.db2.gz YRFCJQCAPANVOE-AVGNSLFASA-N 2 1 226.364 1.230 20 30 BDEDMP C=CC[C@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923397747 644404289 /nfs/dbraw/zinc/40/42/89/644404289.db2.gz GKENZRMSHFFOQU-QWHCGFSZSA-N 2 1 236.359 1.263 20 30 BDEDMP C#CCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246205711 644572922 /nfs/dbraw/zinc/57/29/22/644572922.db2.gz DXQCNYYSGKQVIR-STQMWFEESA-N 2 1 206.333 1.616 20 30 BDEDMP C#C[C@H](C)[NH+](C)C/C=C\C[N@H+](C)[C@@H](C)C#C ZINC000769963567 644682994 /nfs/dbraw/zinc/68/29/94/644682994.db2.gz WARNIEGWYSMJLH-YHFBFXLGSA-N 2 1 218.344 1.450 20 30 BDEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NC(C)C)C1 ZINC000303885497 644853985 /nfs/dbraw/zinc/85/39/85/644853985.db2.gz NFRHTSSORRBOHZ-LLVKDONJSA-N 2 1 226.368 1.031 20 30 BDEDMP CCCCNC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000303896005 644855594 /nfs/dbraw/zinc/85/55/94/644855594.db2.gz PUFJHWQFHWXANA-LLVKDONJSA-N 2 1 238.379 1.175 20 30 BDEDMP CC[C@H](C)[N@@H+](C)CC[NH+]=C(N(C)C)N(C)C ZINC000303978554 644862514 /nfs/dbraw/zinc/86/25/14/644862514.db2.gz MKBPHDLXWMQNBG-NSHDSACASA-N 2 1 228.384 1.196 20 30 BDEDMP C#Cc1ccc(C[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000809611813 644893886 /nfs/dbraw/zinc/89/38/86/644893886.db2.gz PQHJTTQTBKKENH-UHFFFAOYSA-N 2 1 239.322 1.963 20 30 BDEDMP CC(C)CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 ZINC000304753089 644928542 /nfs/dbraw/zinc/92/85/42/644928542.db2.gz KVTZPLMOYUXFRX-LBPRGKRZSA-N 2 1 240.395 1.279 20 30 BDEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NCC(C)C ZINC000304764629 644932428 /nfs/dbraw/zinc/93/24/28/644932428.db2.gz YGTLVTWQFYVPLP-LBPRGKRZSA-N 2 1 240.395 1.421 20 30 BDEDMP N#CCC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925654213 646391610 /nfs/dbraw/zinc/39/16/10/646391610.db2.gz DYUWNRXHJZHYPQ-JZRPKSSGSA-N 2 1 231.343 1.266 20 30 BDEDMP N#CCC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925654215 646392509 /nfs/dbraw/zinc/39/25/09/646392509.db2.gz DYUWNRXHJZHYPQ-OBPIAQAESA-N 2 1 231.343 1.266 20 30 BDEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925656878 646394170 /nfs/dbraw/zinc/39/41/70/646394170.db2.gz QLZQJKICWHCYHW-CRWXNKLISA-N 2 1 238.375 1.698 20 30 BDEDMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000925680365 646409357 /nfs/dbraw/zinc/40/93/57/646409357.db2.gz IRRYWDRQUPPJPO-ZDEQEGDKSA-N 2 1 221.348 1.799 20 30 BDEDMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000925689081 646414826 /nfs/dbraw/zinc/41/48/26/646414826.db2.gz ATOGLHQRGHUDRL-MNOVXSKESA-N 2 1 209.337 1.656 20 30 BDEDMP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925708388 646433331 /nfs/dbraw/zinc/43/33/31/646433331.db2.gz RWGPRMRIVYHLMU-AGIUHOORSA-N 2 1 233.359 1.943 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000926489299 646659729 /nfs/dbraw/zinc/65/97/29/646659729.db2.gz GKVSVJZJWWLIBW-STQMWFEESA-N 2 1 238.375 1.202 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000926489299 646659733 /nfs/dbraw/zinc/65/97/33/646659733.db2.gz GKVSVJZJWWLIBW-STQMWFEESA-N 2 1 238.375 1.202 20 30 BDEDMP C[N@@H+]1C[C@@H]2C[NH+](CC3(CC#N)CC3)C[C@]2(C)C1 ZINC000702477806 712054652 /nfs/dbraw/zinc/05/46/52/712054652.db2.gz BLNZSOXNHXWNQC-OLZOCXBDSA-N 2 1 233.359 1.564 20 30 BDEDMP C[N@H+]1C[C@@H]2C[NH+](CC3(CC#N)CC3)C[C@]2(C)C1 ZINC000702477806 712054653 /nfs/dbraw/zinc/05/46/53/712054653.db2.gz BLNZSOXNHXWNQC-OLZOCXBDSA-N 2 1 233.359 1.564 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@H+](CC3(CC#N)CC3)C[C@]2(C)C1 ZINC000702477806 712054654 /nfs/dbraw/zinc/05/46/54/712054654.db2.gz BLNZSOXNHXWNQC-OLZOCXBDSA-N 2 1 233.359 1.564 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@@H+](CC3(CC#N)CC3)C[C@]2(C)C1 ZINC000702477806 712054655 /nfs/dbraw/zinc/05/46/55/712054655.db2.gz BLNZSOXNHXWNQC-OLZOCXBDSA-N 2 1 233.359 1.564 20 30 BDEDMP C=CC[C@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000703665609 712082637 /nfs/dbraw/zinc/08/26/37/712082637.db2.gz QKCYMGGQFMSERQ-VHSXEESVSA-N 2 1 218.291 1.867 20 30 BDEDMP C=CC[C@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000703665609 712082640 /nfs/dbraw/zinc/08/26/40/712082640.db2.gz QKCYMGGQFMSERQ-VHSXEESVSA-N 2 1 218.291 1.867 20 30 BDEDMP C=CC[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000703701266 712084214 /nfs/dbraw/zinc/08/42/14/712084214.db2.gz NTFSRYVFNFLPEO-UPJWGTAASA-N 2 1 208.349 1.740 20 30 BDEDMP C#CC[N@@H+](C)CCCN[C@@H]1CCc2cccnc21 ZINC000385859224 711018710 /nfs/dbraw/zinc/01/87/10/711018710.db2.gz WNICEGZBPCSQEG-CQSZACIVSA-N 2 1 243.354 1.614 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000328129114 711689898 /nfs/dbraw/zinc/68/98/98/711689898.db2.gz VQKWDXLURXZQTG-ZIAGYGMSSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000328129114 711689899 /nfs/dbraw/zinc/68/98/99/711689899.db2.gz VQKWDXLURXZQTG-ZIAGYGMSSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CCCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000185207726 711735869 /nfs/dbraw/zinc/73/58/69/711735869.db2.gz GHWWHDMUPWIDNW-UHFFFAOYSA-N 2 1 217.316 1.651 20 30 BDEDMP C=C(Cl)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710642747 712264720 /nfs/dbraw/zinc/26/47/20/712264720.db2.gz RRDJAKSWOSDLMC-UHFFFAOYSA-N 2 1 232.755 1.127 20 30 BDEDMP C=CC[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000715003958 712503951 /nfs/dbraw/zinc/50/39/51/712503951.db2.gz YFOSENQRYXBJAT-QJPTWQEYSA-N 2 1 212.337 1.247 20 30 BDEDMP C=CC[NH+]1CCN(c2cc(N)c(C)c[nH+]2)CC1 ZINC001165031810 721870065 /nfs/dbraw/zinc/87/00/65/721870065.db2.gz AQSYRBYKRVCJAI-UHFFFAOYSA-N 2 1 232.331 1.280 20 30 BDEDMP C=CCC[C@@H](C)[NH2+]C[C@H](C[NH+](C)C)OCC ZINC000926958889 964524205 /nfs/dbraw/zinc/52/42/05/964524205.db2.gz IDQSJQLWTWULIY-CHWSQXEVSA-N 2 1 228.380 1.897 20 30 BDEDMP CCO[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)C[NH+](C)C ZINC000926959480 964530494 /nfs/dbraw/zinc/53/04/94/964530494.db2.gz JDIVBZKPLHACAX-FRRDWIJNSA-N 2 1 239.363 1.235 20 30 BDEDMP C=C(C)C(=O)OCC[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254502318 969666995 /nfs/dbraw/zinc/66/69/95/969666995.db2.gz DCXCEAOVBXQFOD-GFCCVEGCSA-N 2 1 240.347 1.180 20 30 BDEDMP CC[N@H+]1CCC[C@@H](C[NH+]=C(N(C)C)N(C)C)C1 ZINC001329225190 973578423 /nfs/dbraw/zinc/57/84/23/973578423.db2.gz GCSNWSCQQKTNNQ-LBPRGKRZSA-N 2 1 240.395 1.198 20 30 BDEDMP C[N@@H+]1C[C@@H]2C[NH+](C3CCC(C#N)CC3)C[C@@H]2C1 ZINC001256973097 971050164 /nfs/dbraw/zinc/05/01/64/971050164.db2.gz LJHSTSJMHCYZOW-AKJUYKBHSA-N 2 1 233.359 1.562 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@H+](C3CCC(C#N)CC3)C[C@@H]2C1 ZINC001256973097 971050177 /nfs/dbraw/zinc/05/01/77/971050177.db2.gz LJHSTSJMHCYZOW-AKJUYKBHSA-N 2 1 233.359 1.562 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@@H+](C3CCC(C#N)CC3)C[C@@H]2C1 ZINC001256973097 971050188 /nfs/dbraw/zinc/05/01/88/971050188.db2.gz LJHSTSJMHCYZOW-AKJUYKBHSA-N 2 1 233.359 1.562 20 30 BDEDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C1CCC(C#N)CC1)C2 ZINC001256971921 971050661 /nfs/dbraw/zinc/05/06/61/971050661.db2.gz OVCODLPIKHXANG-HXSCFSKGSA-N 2 1 247.386 1.952 20 30 BDEDMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)C[NH2+]1 ZINC001246206773 972217386 /nfs/dbraw/zinc/21/73/86/972217386.db2.gz SOICCEKLWMCOQG-WUHRBBMRSA-N 2 1 221.348 1.799 20 30 BDEDMP C[C@H]1C[C@@H]([NH2+]CC#CC(C)(C)C)CC[NH2+]1 ZINC001246325263 972286829 /nfs/dbraw/zinc/28/68/29/972286829.db2.gz JARGTPIRUWPGEV-RYUDHWBXSA-N 2 1 208.349 1.766 20 30 BDEDMP C[NH2+]CCC[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000402180502 958182624 /nfs/dbraw/zinc/18/26/24/958182624.db2.gz XUHKRSAUHTYCLT-CQSZACIVSA-N 2 1 247.342 1.133 20 30 BDEDMP C[NH2+]CCC[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000402180502 958182629 /nfs/dbraw/zinc/18/26/29/958182629.db2.gz XUHKRSAUHTYCLT-CQSZACIVSA-N 2 1 247.342 1.133 20 30 BDEDMP C#CCCC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237393 972416062 /nfs/dbraw/zinc/41/60/62/972416062.db2.gz HRQNYODTDFFCCJ-ZDUSSCGKSA-N 2 1 206.333 1.618 20 30 BDEDMP C#CC1([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168362786 964650527 /nfs/dbraw/zinc/65/05/27/964650527.db2.gz IXMWLHCPLQSSCQ-UHFFFAOYSA-N 2 1 218.344 1.616 20 30 BDEDMP N#CCC[N@H+](CCCC[NH3+])C1CCCC1 ZINC001235663855 966096587 /nfs/dbraw/zinc/09/65/87/966096587.db2.gz MKRMIJDURWMCCO-UHFFFAOYSA-N 2 1 209.337 1.884 20 30 BDEDMP C=CCn1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC001205101679 967346174 /nfs/dbraw/zinc/34/61/74/967346174.db2.gz IWQCUBAHZNUWIV-CYBMUJFWSA-N 2 1 234.347 1.382 20 30 BDEDMP C=CCn1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC001205101679 967346185 /nfs/dbraw/zinc/34/61/85/967346185.db2.gz IWQCUBAHZNUWIV-CYBMUJFWSA-N 2 1 234.347 1.382 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[O-])C[C@H]1C[NH3+] ZINC001205150532 967396878 /nfs/dbraw/zinc/39/68/78/967396878.db2.gz DWSGAURXZGMWOF-GXFFZTMASA-N 2 1 245.326 1.290 20 30 BDEDMP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2O)C[C@H]1C[NH3+] ZINC001205150532 967396885 /nfs/dbraw/zinc/39/68/85/967396885.db2.gz DWSGAURXZGMWOF-GXFFZTMASA-N 2 1 245.326 1.290 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2O)C[C@H]1C[NH3+] ZINC001205150532 967396895 /nfs/dbraw/zinc/39/68/95/967396895.db2.gz DWSGAURXZGMWOF-GXFFZTMASA-N 2 1 245.326 1.290 20 30 BDEDMP C[NH+]1CCC(C[N@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000694587370 967888008 /nfs/dbraw/zinc/88/80/08/967888008.db2.gz FKXQLQDNIZJPDS-ZDUSSCGKSA-N 2 1 221.348 1.564 20 30 BDEDMP C#C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169142652 969456853 /nfs/dbraw/zinc/45/68/53/969456853.db2.gz FERHTDZTIJYSPX-KBXIAJHMSA-N 2 1 232.371 1.957 20 30 BDEDMP C#C[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169142652 969456866 /nfs/dbraw/zinc/45/68/66/969456866.db2.gz FERHTDZTIJYSPX-KBXIAJHMSA-N 2 1 232.371 1.957 20 30 BDEDMP C#CC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169155406 969473110 /nfs/dbraw/zinc/47/31/10/969473110.db2.gz OVXPFBNDYGKIJM-FICVDOATSA-N 2 1 232.371 1.957 20 30 BDEDMP CCC[N@@H+](CCC[NH3+])[C@H]1CC[C@@H](C#N)C1 ZINC001254636365 969753408 /nfs/dbraw/zinc/75/34/08/969753408.db2.gz KSNJZDVHMURSPB-NEPJUHHUSA-N 2 1 209.337 1.739 20 30 BDEDMP C[N@H+]1CC[C@H](NC(=[NH2+])c2ccc(Cl)cn2)C1 ZINC001255416342 970138393 /nfs/dbraw/zinc/13/83/93/970138393.db2.gz ZPRSDTWPLPKQCN-VIFPVBQESA-N 2 1 238.722 1.144 20 30 BDEDMP Cc1ccc(C(=[NH2+])N[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001255428621 970153706 /nfs/dbraw/zinc/15/37/06/970153706.db2.gz ZBVVGFJHVYYIIR-CYBMUJFWSA-N 2 1 231.343 1.713 20 30 BDEDMP Cc1ccc(C(=[NH2+])N[C@@H]2CC[N@H+](C)C2)cc1C ZINC001255428621 970153713 /nfs/dbraw/zinc/15/37/13/970153713.db2.gz ZBVVGFJHVYYIIR-CYBMUJFWSA-N 2 1 231.343 1.713 20 30 BDEDMP CCNC(NC[C@@H]1CC[N@H+]1C(C)(C)C)=[NH+]CC ZINC000690412890 970515395 /nfs/dbraw/zinc/51/53/95/970515395.db2.gz GMNLLBKHVUYHCY-NSHDSACASA-N 2 1 240.395 1.434 20 30 BDEDMP C[C@H](CCCC#N)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246544335 972614555 /nfs/dbraw/zinc/61/45/55/972614555.db2.gz XZPICDCYTSMRSR-NEPJUHHUSA-N 2 1 209.337 1.882 20 30 BDEDMP C[C@]1([NH3+])CCC[N@H+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001246550415 972708925 /nfs/dbraw/zinc/70/89/25/972708925.db2.gz JNENWMBHFMQUFB-AVGNSLFASA-N 2 1 221.348 1.882 20 30 BDEDMP C[NH2+]CCC[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001329023378 973435007 /nfs/dbraw/zinc/43/50/07/973435007.db2.gz KWTXIGFUSCCGIG-UHFFFAOYSA-N 2 1 243.354 1.809 20 30 BDEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C(C)(C)C[NH3+] ZINC001172289850 974556407 /nfs/dbraw/zinc/55/64/07/974556407.db2.gz JAXIHJGWMFPAGI-NSHDSACASA-N 2 1 231.343 1.816 20 30 BDEDMP C[C@H](CCCC#N)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001172478020 974776943 /nfs/dbraw/zinc/77/69/43/974776943.db2.gz AWIGXHLARFDRAF-VXGBXAGGSA-N 2 1 209.337 1.610 20 30 BDEDMP CC(C)(C[NH3+])[NH2+]C1CCC(CC#N)CC1 ZINC001173326154 975274358 /nfs/dbraw/zinc/27/43/58/975274358.db2.gz TUEFEVBOMHVBPK-UHFFFAOYSA-N 2 1 209.337 1.786 20 30 BDEDMP CC1(C#N)CCC([N@@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC001173586633 975434361 /nfs/dbraw/zinc/43/43/61/975434361.db2.gz XBKQKHDFHKADEN-PNESKVBLSA-N 2 1 221.348 1.882 20 30 BDEDMP CC1(C#N)CCC([N@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC001173586633 975434378 /nfs/dbraw/zinc/43/43/78/975434378.db2.gz XBKQKHDFHKADEN-PNESKVBLSA-N 2 1 221.348 1.882 20 30 BDEDMP C=C[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001335425951 977050787 /nfs/dbraw/zinc/05/07/87/977050787.db2.gz KQPRVSKCDQCJBS-HIFRSBDPSA-N 2 1 248.370 1.643 20 30 BDEDMP C=C[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001335425951 977050799 /nfs/dbraw/zinc/05/07/99/977050799.db2.gz KQPRVSKCDQCJBS-HIFRSBDPSA-N 2 1 248.370 1.643 20 30 BDEDMP C=C(C)C[NH+]1CCC(Nc2cc[nH+]c(N)n2)CC1 ZINC001337768875 978490515 /nfs/dbraw/zinc/49/05/15/978490515.db2.gz LVYDGTYOKDMCNH-UHFFFAOYSA-N 2 1 247.346 1.511 20 30 BDEDMP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC[NH3+] ZINC001235933044 979211508 /nfs/dbraw/zinc/21/15/08/979211508.db2.gz AHSMMOVTEQJOBQ-CNDDSTCGSA-N 2 1 207.321 1.492 20 30 BDEDMP CCCCCCC[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235995518 979285780 /nfs/dbraw/zinc/28/57/80/979285780.db2.gz YXTZQPYVXGAOOL-PBWFPOADSA-N 2 1 240.391 1.862 20 30 BDEDMP C[C@H]1CC[N@@H+](Cc2[nH]ccc2C#N)CC[C@@H]1C[NH3+] ZINC001205638060 981376030 /nfs/dbraw/zinc/37/60/30/981376030.db2.gz KVNFMZUYSTVTAH-NWDGAFQWSA-N 2 1 246.358 1.693 20 30 BDEDMP C[N@@H+](CCOc1cccc(C#N)c1)C1CC([NH3+])C1 ZINC001578477079 985111063 /nfs/dbraw/zinc/11/10/63/985111063.db2.gz NOEKZSQFEGAWTK-UHFFFAOYSA-N 2 1 245.326 1.359 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)C[C@H]1CC[NH3+] ZINC001579440531 985924880 /nfs/dbraw/zinc/92/48/80/985924880.db2.gz IVQCRQHBKYYNFN-VXGBXAGGSA-N 2 1 244.342 1.370 20 30 BDEDMP C=C[C@@H](O)C[NH2+]CCC[N@H+](C)CCCC ZINC001253597939 986219383 /nfs/dbraw/zinc/21/93/83/986219383.db2.gz LGFFEKWEYBVUII-GFCCVEGCSA-N 2 1 214.353 1.245 20 30 BDEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)cc1F ZINC001580065549 986505050 /nfs/dbraw/zinc/50/50/50/986505050.db2.gz MENBLJXHZNEVLM-PHIMTYICSA-N 2 1 219.263 1.277 20 30 BDEDMP C=C[C@@](C)(O)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246018124 987301584 /nfs/dbraw/zinc/30/15/84/987301584.db2.gz AGLLFEJLHUABTK-CHWSQXEVSA-N 2 1 226.364 1.374 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001246060174 987350364 /nfs/dbraw/zinc/35/03/64/987350364.db2.gz NFJNLAFYYOOPIE-IHRRRGAJSA-N 2 1 238.375 1.387 20 30 BDEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)CC[NH2+]1 ZINC001246270785 987666756 /nfs/dbraw/zinc/66/67/56/987666756.db2.gz MXSNHTBASKDTDZ-MFKMUULPSA-N 2 1 247.317 1.927 20 30 BDEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[NH2+]CC1 ZINC001246528415 987881188 /nfs/dbraw/zinc/88/11/88/987881188.db2.gz PSJHOLRQLQDPMY-ZDUSSCGKSA-N 2 1 243.354 1.785 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001246545759 987917100 /nfs/dbraw/zinc/91/71/00/987917100.db2.gz DABJLLCTYJAQHZ-FRRDWIJNSA-N 2 1 239.338 1.832 20 30 BDEDMP CC[C@H](CC#N)[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246552517 987954087 /nfs/dbraw/zinc/95/40/87/987954087.db2.gz PNMCMOSQZADPJW-NEPJUHHUSA-N 2 1 209.337 1.882 20 30 BDEDMP CC[C@H](CC#N)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246552517 987954091 /nfs/dbraw/zinc/95/40/91/987954091.db2.gz PNMCMOSQZADPJW-NEPJUHHUSA-N 2 1 209.337 1.882 20 30 BDEDMP C[C@@H](CCCC#N)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246562749 988010370 /nfs/dbraw/zinc/01/03/70/988010370.db2.gz ZLCKNWWNFPNEGR-WDEREUQCSA-N 2 1 245.317 1.985 20 30 BDEDMP C=CCOC1CCC([N@H+]2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC001246565323 988020464 /nfs/dbraw/zinc/02/04/64/988020464.db2.gz BJSOZRFPQJGACH-BLYZHGLHSA-N 2 1 238.375 1.779 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)C1 ZINC001246588319 988160201 /nfs/dbraw/zinc/16/02/01/988160201.db2.gz PTIWJVROIGDJIL-KXNHARMFSA-N 2 1 225.311 1.440 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)C1 ZINC001246588319 988160212 /nfs/dbraw/zinc/16/02/12/988160212.db2.gz PTIWJVROIGDJIL-KXNHARMFSA-N 2 1 225.311 1.440 20 30 BDEDMP C=CCC[C@H](C)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001258718505 991649085 /nfs/dbraw/zinc/64/90/85/991649085.db2.gz NYXUMQSVIBFWQW-WDEREUQCSA-N 2 1 228.336 1.211 20 30 BDEDMP C#CC1([NH2+]C2CC[NH+](CCC)CC2)CC1 ZINC001258768195 991732836 /nfs/dbraw/zinc/73/28/36/991732836.db2.gz CHKWGPOKSXDYAN-UHFFFAOYSA-N 2 1 206.333 1.616 20 30 BDEDMP C=CC[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)[C@H](C)COC ZINC001574933131 992946555 /nfs/dbraw/zinc/94/65/55/992946555.db2.gz LXFZRWDQVWVUDE-FRRDWIJNSA-N 2 1 226.364 1.637 20 30 BDEDMP CC#CCC[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000155608381 136213123 /nfs/dbraw/zinc/21/31/23/136213123.db2.gz IKZDEMMMDFULQK-OAHLLOKOSA-N 2 1 249.402 1.112 20 30 BDEDMP C=CCOc1ccccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422907991 398157847 /nfs/dbraw/zinc/15/78/47/398157847.db2.gz CONOHYNYAZQZNI-GFCCVEGCSA-N 2 1 246.354 1.949 20 30 BDEDMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602522506 349576137 /nfs/dbraw/zinc/57/61/37/349576137.db2.gz WSXYXHJKYJQDQB-QWHCGFSZSA-N 2 1 223.364 1.858 20 30 BDEDMP C=CCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000389378010 539016231 /nfs/dbraw/zinc/01/62/31/539016231.db2.gz BNUXVGNSHDXXER-NWDGAFQWSA-N 2 1 212.337 1.261 20 30 BDEDMP C[N@H+](C[C@H]1CCC[NH+](C)C1)CC1(CC#N)CC1 ZINC000602776259 349729763 /nfs/dbraw/zinc/72/97/63/349729763.db2.gz BKODXZPRLHHMNV-ZDUSSCGKSA-N 2 1 235.375 1.954 20 30 BDEDMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)CC1(CC#N)CC1 ZINC000602776259 349729766 /nfs/dbraw/zinc/72/97/66/349729766.db2.gz BKODXZPRLHHMNV-ZDUSSCGKSA-N 2 1 235.375 1.954 20 30 BDEDMP C[NH+](C[C@H]1CCC[N@H+](C)C1)CC1(CC#N)CC1 ZINC000602776259 349729768 /nfs/dbraw/zinc/72/97/68/349729768.db2.gz BKODXZPRLHHMNV-ZDUSSCGKSA-N 2 1 235.375 1.954 20 30 BDEDMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)CC1(CC#N)CC1 ZINC000602776259 349729770 /nfs/dbraw/zinc/72/97/70/349729770.db2.gz BKODXZPRLHHMNV-ZDUSSCGKSA-N 2 1 235.375 1.954 20 30 BDEDMP C[C@H](CC#N)[NH2+]CCCc1c[nH+]cn1C ZINC000602871522 349803533 /nfs/dbraw/zinc/80/35/33/349803533.db2.gz SJQQKNWYOAKRKX-SNVBAGLBSA-N 2 1 206.293 1.244 20 30 BDEDMP C[C@@H](CC#N)[NH2+]CCCc1c[nH+]cn1C ZINC000602871520 349803704 /nfs/dbraw/zinc/80/37/04/349803704.db2.gz SJQQKNWYOAKRKX-JTQLQIEISA-N 2 1 206.293 1.244 20 30 BDEDMP C[NH+]1CCC2(CC[N@@H+](CC3(C#N)CC3)C2)CC1 ZINC000602876205 349806869 /nfs/dbraw/zinc/80/68/69/349806869.db2.gz FYVPSTWAAZBRSS-UHFFFAOYSA-N 2 1 233.359 1.708 20 30 BDEDMP N#C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000335751152 136352394 /nfs/dbraw/zinc/35/23/94/136352394.db2.gz GGWCZTQISIXYDZ-WCQYABFASA-N 2 1 233.359 1.895 20 30 BDEDMP C[C@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000591581574 347678413 /nfs/dbraw/zinc/67/84/13/347678413.db2.gz ZVGCNWTVKFPRLP-TVQRCGJNSA-N 2 1 215.300 1.482 20 30 BDEDMP C[C@H]([NH3+])C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591581450 347678594 /nfs/dbraw/zinc/67/85/94/347678594.db2.gz WZWJCSIFNRYKLY-IINYFYTJSA-N 2 1 229.327 1.872 20 30 BDEDMP Cn1c[nH+]cc1CC[NH2+]CC(C)(C)CCC#N ZINC000401791914 347902685 /nfs/dbraw/zinc/90/26/85/347902685.db2.gz HMNFHVHLWGWRKU-UHFFFAOYSA-N 2 1 234.347 1.882 20 30 BDEDMP Cn1cncc1CCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000593978003 347986157 /nfs/dbraw/zinc/98/61/57/347986157.db2.gz XENOBCCGZDQVTB-AWEZNQCLSA-N 2 1 246.358 1.978 20 30 BDEDMP N#Cc1ccc2c(c1)C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000594523965 348069924 /nfs/dbraw/zinc/06/99/24/348069924.db2.gz FXDKWBINFNRFNV-UHFFFAOYSA-N 2 1 241.338 1.873 20 30 BDEDMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(C#N)c1 ZINC000401856958 348207056 /nfs/dbraw/zinc/20/70/56/348207056.db2.gz VZLMNMGATSLIMN-UHFFFAOYSA-N 2 1 240.310 1.624 20 30 BDEDMP C[C@]1(C#N)CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000595904595 348396008 /nfs/dbraw/zinc/39/60/08/348396008.db2.gz IDGUICJOQZHHRW-CYBMUJFWSA-N 2 1 221.348 1.612 20 30 BDEDMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336684600 350921150 /nfs/dbraw/zinc/92/11/50/350921150.db2.gz SVAQJNYYWNNJJL-OLZOCXBDSA-N 2 1 223.364 1.999 20 30 BDEDMP N#C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000335248465 355165362 /nfs/dbraw/zinc/16/53/62/355165362.db2.gz GGWCZTQISIXYDZ-YPMHNXCESA-N 2 1 233.359 1.895 20 30 BDEDMP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C1 ZINC000329518980 355927282 /nfs/dbraw/zinc/92/72/82/355927282.db2.gz NTKUEIPAXAWNBA-VWYCJHECSA-N 2 1 230.315 1.549 20 30 BDEDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(C#N)c1 ZINC000215988030 358433151 /nfs/dbraw/zinc/43/31/51/358433151.db2.gz GQAIMEIZVHBJCR-FZMZJTMJSA-N 2 1 229.327 1.727 20 30 BDEDMP C=CCCOCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000090883547 360092950 /nfs/dbraw/zinc/09/29/50/360092950.db2.gz YQINYOKNBUHTML-STQMWFEESA-N 2 1 226.364 1.509 20 30 BDEDMP C=C(C)COCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000090450877 360073207 /nfs/dbraw/zinc/07/32/07/360073207.db2.gz BMHMDDMHWKQFIA-STQMWFEESA-N 2 1 226.364 1.509 20 30 BDEDMP CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CCC[NH2+]1 ZINC000424370977 200922849 /nfs/dbraw/zinc/92/28/49/200922849.db2.gz FLLWFMKPMXVYCO-LOWDOPEQSA-N 2 1 221.348 1.799 20 30 BDEDMP C#CCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367592552 367087158 /nfs/dbraw/zinc/08/71/58/367087158.db2.gz DBVLTAPJDFAWGN-MGPQQGTHSA-N 2 1 220.360 1.862 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000381999223 367476761 /nfs/dbraw/zinc/47/67/61/367476761.db2.gz JFORKQCQDMSTIQ-OLZOCXBDSA-N 2 1 219.332 1.223 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000381999223 367476767 /nfs/dbraw/zinc/47/67/67/367476767.db2.gz JFORKQCQDMSTIQ-OLZOCXBDSA-N 2 1 219.332 1.223 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384668447 367713846 /nfs/dbraw/zinc/71/38/46/367713846.db2.gz XKXXOGSLLOWPBD-JHJVBQTASA-N 2 1 224.348 1.097 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384668447 367713853 /nfs/dbraw/zinc/71/38/53/367713853.db2.gz XKXXOGSLLOWPBD-JHJVBQTASA-N 2 1 224.348 1.097 20 30 BDEDMP Cc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1C#N ZINC000600709390 369559694 /nfs/dbraw/zinc/55/96/94/369559694.db2.gz IZSKVKKJRQNBEI-UHFFFAOYSA-N 2 1 229.327 1.788 20 30 BDEDMP Cc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1C#N ZINC000600709390 369559697 /nfs/dbraw/zinc/55/96/97/369559697.db2.gz IZSKVKKJRQNBEI-UHFFFAOYSA-N 2 1 229.327 1.788 20 30 BDEDMP C[NH2+]CCOCC[N@H+](C)Cc1ccccc1C#N ZINC000600729197 369560988 /nfs/dbraw/zinc/56/09/88/369560988.db2.gz SLCBZGFHISAFDN-UHFFFAOYSA-N 2 1 247.342 1.226 20 30 BDEDMP C[NH2+]CCOCC[N@@H+](C)Cc1ccccc1C#N ZINC000600729197 369561000 /nfs/dbraw/zinc/56/10/00/369561000.db2.gz SLCBZGFHISAFDN-UHFFFAOYSA-N 2 1 247.342 1.226 20 30 BDEDMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C#N)o2)C[C@H]1C[NH3+] ZINC000600767390 369561042 /nfs/dbraw/zinc/56/10/42/369561042.db2.gz ASJRRYOQAPCIHA-IJLUTSLNSA-N 2 1 247.342 1.956 20 30 BDEDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C#N)o2)C[C@H]1C[NH3+] ZINC000600767390 369561044 /nfs/dbraw/zinc/56/10/44/369561044.db2.gz ASJRRYOQAPCIHA-IJLUTSLNSA-N 2 1 247.342 1.956 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000424381004 206037987 /nfs/dbraw/zinc/03/79/87/206037987.db2.gz QKOCZOFAKVXCNI-XQHKEYJVSA-N 2 1 224.348 1.165 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000424380997 206038331 /nfs/dbraw/zinc/03/83/31/206038331.db2.gz QKOCZOFAKVXCNI-CYDGBPFRSA-N 2 1 224.348 1.165 20 30 BDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccccn1 ZINC000170905846 385454929 /nfs/dbraw/zinc/45/49/29/385454929.db2.gz RUVKTORYGPKUGV-NSHDSACASA-N 2 1 247.346 1.293 20 30 BDEDMP N#Cc1cccc(C[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000573124072 385465962 /nfs/dbraw/zinc/46/59/62/385465962.db2.gz SPRMGBIXYVTVMC-CYBMUJFWSA-N 2 1 215.300 1.385 20 30 BDEDMP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000186715620 385785689 /nfs/dbraw/zinc/78/56/89/385785689.db2.gz QUZDAUZSRJGQMZ-JHJVBQTASA-N 2 1 224.348 1.140 20 30 BDEDMP C=C[C@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000336654981 385744933 /nfs/dbraw/zinc/74/49/33/385744933.db2.gz HCMYBOYBHNWBTH-LLVKDONJSA-N 2 1 226.364 1.386 20 30 BDEDMP CC[N@@H+](CCN[C@H]1CC[C@@H](C#N)C1)C(C)C ZINC000336773874 386326995 /nfs/dbraw/zinc/32/69/95/386326995.db2.gz WGYXVRIYBGOWIQ-OLZOCXBDSA-N 2 1 223.364 1.999 20 30 BDEDMP CC[N@H+](CC[NH2+][C@H]1CC[C@@H](C#N)C1)C(C)C ZINC000336773874 386327000 /nfs/dbraw/zinc/32/70/00/386327000.db2.gz WGYXVRIYBGOWIQ-OLZOCXBDSA-N 2 1 223.364 1.999 20 30 BDEDMP CC[N@@H+](CC[NH2+][C@H]1CC[C@@H](C#N)C1)C(C)C ZINC000336773874 386327004 /nfs/dbraw/zinc/32/70/04/386327004.db2.gz WGYXVRIYBGOWIQ-OLZOCXBDSA-N 2 1 223.364 1.999 20 30 BDEDMP C[NH+]1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185710812 386631497 /nfs/dbraw/zinc/63/14/97/386631497.db2.gz YNMUHHJVROYTRH-AAEUAGOBSA-N 2 1 221.348 1.753 20 30 BDEDMP CC#CC[N@H+](C)CCCn1cc[nH+]c1C ZINC000119844321 386645096 /nfs/dbraw/zinc/64/50/96/386645096.db2.gz SQASBJDHVVKBCY-UHFFFAOYSA-N 2 1 205.305 1.537 20 30 BDEDMP CC#CC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000119844321 386645102 /nfs/dbraw/zinc/64/51/02/386645102.db2.gz SQASBJDHVVKBCY-UHFFFAOYSA-N 2 1 205.305 1.537 20 30 BDEDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000126865546 387053169 /nfs/dbraw/zinc/05/31/69/387053169.db2.gz TWFUKUXTMNPMJH-FZMZJTMJSA-N 2 1 229.327 1.727 20 30 BDEDMP C#CC[NH+](C)Cc1cccc(C[N@@H+](C)CC#C)c1 ZINC000276922125 387526006 /nfs/dbraw/zinc/52/60/06/387526006.db2.gz HJUAUCIXDXLXOC-UHFFFAOYSA-N 2 1 240.350 1.817 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000442709470 387826702 /nfs/dbraw/zinc/82/67/02/387826702.db2.gz OECMMFCGXBHLJD-FRRDWIJNSA-N 2 1 233.359 1.753 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423156470 387936266 /nfs/dbraw/zinc/93/62/66/387936266.db2.gz SLTAEPRBFGBVMM-XQHKEYJVSA-N 2 1 224.348 1.450 20 30 BDEDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424316231 387967411 /nfs/dbraw/zinc/96/74/11/387967411.db2.gz AVZLNONSWQCVAR-YVECIDJPSA-N 2 1 221.348 1.608 20 30 BDEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424316231 387967414 /nfs/dbraw/zinc/96/74/14/387967414.db2.gz AVZLNONSWQCVAR-YVECIDJPSA-N 2 1 221.348 1.608 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000451681103 388289621 /nfs/dbraw/zinc/28/96/21/388289621.db2.gz LHODRTNBVOWEGJ-MJBXVCDLSA-N 2 1 238.375 1.794 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000451680472 388289795 /nfs/dbraw/zinc/28/97/95/388289795.db2.gz JIGJVYPDNWJAOB-OLZOCXBDSA-N 2 1 235.331 1.515 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC1(C)C ZINC000328153331 388557780 /nfs/dbraw/zinc/55/77/80/388557780.db2.gz FZGIEOPPZDFNAG-LBPRGKRZSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC1(C)C ZINC000328153331 388557782 /nfs/dbraw/zinc/55/77/82/388557782.db2.gz FZGIEOPPZDFNAG-LBPRGKRZSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000328155274 388558472 /nfs/dbraw/zinc/55/84/72/388558472.db2.gz GJWCYRUHFWNJIM-STQMWFEESA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000328155274 388558475 /nfs/dbraw/zinc/55/84/75/388558475.db2.gz GJWCYRUHFWNJIM-STQMWFEESA-N 2 1 224.348 1.099 20 30 BDEDMP COc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc1C#N ZINC000415004673 388667372 /nfs/dbraw/zinc/66/73/72/388667372.db2.gz AALPRNKNNXTWGV-ZJUUUORDSA-N 2 1 233.315 1.392 20 30 BDEDMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(C#N)c1 ZINC000423314630 388691523 /nfs/dbraw/zinc/69/15/23/388691523.db2.gz HLOMVPCWKHOBMZ-IINYFYTJSA-N 2 1 229.327 1.946 20 30 BDEDMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(C#N)c1 ZINC000423314633 388691618 /nfs/dbraw/zinc/69/16/18/388691618.db2.gz HLOMVPCWKHOBMZ-YGRLFVJLSA-N 2 1 229.327 1.946 20 30 BDEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000335665330 533513149 /nfs/dbraw/zinc/51/31/49/533513149.db2.gz AVJYSJMPYDCCCX-CYBMUJFWSA-N 2 1 208.349 1.980 20 30 BDEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000335665330 533513154 /nfs/dbraw/zinc/51/31/54/533513154.db2.gz AVJYSJMPYDCCCX-CYBMUJFWSA-N 2 1 208.349 1.980 20 30 BDEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000335665330 533513158 /nfs/dbraw/zinc/51/31/58/533513158.db2.gz AVJYSJMPYDCCCX-CYBMUJFWSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CCC[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000352868294 134154872 /nfs/dbraw/zinc/15/48/72/134154872.db2.gz CVYQUAHSDMCVPY-AWEZNQCLSA-N 2 1 237.391 1.274 20 30 BDEDMP C=CC[N@@H+](CCOC)C[C@H]1CCC[NH2+]C1 ZINC000234687275 134385372 /nfs/dbraw/zinc/38/53/72/134385372.db2.gz JDCSMDRREKECKO-LBPRGKRZSA-N 2 1 212.337 1.120 20 30 BDEDMP C=CC[N@H+](CCOC)C[C@H]1CCC[NH2+]C1 ZINC000234687275 134385374 /nfs/dbraw/zinc/38/53/74/134385374.db2.gz JDCSMDRREKECKO-LBPRGKRZSA-N 2 1 212.337 1.120 20 30 BDEDMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CC[C@@H](C#N)C3)C2)C1 ZINC000339211206 135066224 /nfs/dbraw/zinc/06/62/24/135066224.db2.gz FZNZLXIFWWRCKP-RDBSUJKOSA-N 2 1 233.359 1.706 20 30 BDEDMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CC[C@@H](C#N)C3)C2)C1 ZINC000339211206 135066226 /nfs/dbraw/zinc/06/62/26/135066226.db2.gz FZNZLXIFWWRCKP-RDBSUJKOSA-N 2 1 233.359 1.706 20 30 BDEDMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)C1 ZINC000339211206 135066227 /nfs/dbraw/zinc/06/62/27/135066227.db2.gz FZNZLXIFWWRCKP-RDBSUJKOSA-N 2 1 233.359 1.706 20 30 BDEDMP Cc1[nH+]ccn1CCNC(=[NH2+])N1CCC(C)CC1 ZINC000264091928 135132675 /nfs/dbraw/zinc/13/26/75/135132675.db2.gz LHSVLMXZILQRSL-UHFFFAOYSA-N 2 1 249.362 1.238 20 30 BDEDMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](C)C#N ZINC000270700854 135172702 /nfs/dbraw/zinc/17/27/02/135172702.db2.gz XWZPPMGZJPAEOJ-LLVKDONJSA-N 2 1 220.320 1.673 20 30 BDEDMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](C)C#N ZINC000270700854 135172704 /nfs/dbraw/zinc/17/27/04/135172704.db2.gz XWZPPMGZJPAEOJ-LLVKDONJSA-N 2 1 220.320 1.673 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261584013 135225373 /nfs/dbraw/zinc/22/53/73/135225373.db2.gz RZUGLPBUXBNJDG-LSDHHAIUSA-N 2 1 241.338 1.742 20 30 BDEDMP N#Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261584013 135225375 /nfs/dbraw/zinc/22/53/75/135225375.db2.gz RZUGLPBUXBNJDG-LSDHHAIUSA-N 2 1 241.338 1.742 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261587041 135228359 /nfs/dbraw/zinc/22/83/59/135228359.db2.gz UTZUUDUAOVKXTP-KKUMJFAQSA-N 2 1 241.338 1.727 20 30 BDEDMP C=C(C)CNC(=[NH2+])NCC[N@@H+]1CCCC[C@@H]1C ZINC000262002799 135271652 /nfs/dbraw/zinc/27/16/52/135271652.db2.gz QJIVDJSQACLBAH-LBPRGKRZSA-N 2 1 238.379 1.341 20 30 BDEDMP CC(C)([NH3+])C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000335599811 136114331 /nfs/dbraw/zinc/11/43/31/136114331.db2.gz RSPHXQYQFXLQLT-ZDUSSCGKSA-N 2 1 229.327 1.872 20 30 BDEDMP C=CCOCCC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000658210580 411295257 /nfs/dbraw/zinc/29/52/57/411295257.db2.gz UQNFTEKTYPPZOY-ZIAGYGMSSA-N 2 1 240.391 1.899 20 30 BDEDMP C=C(C)CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655772980 411255907 /nfs/dbraw/zinc/25/59/07/411255907.db2.gz PBLQNIWKLWLIQU-CQSZACIVSA-N 2 1 238.375 1.796 20 30 BDEDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000189587532 170008089 /nfs/dbraw/zinc/00/80/89/170008089.db2.gz QQKKJHBJZCLREF-LBPRGKRZSA-N 2 1 246.358 1.328 20 30 BDEDMP C=CCOCCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000657658023 411572008 /nfs/dbraw/zinc/57/20/08/411572008.db2.gz JBFMSOSBINBCNM-UHFFFAOYSA-N 2 1 249.358 1.830 20 30 BDEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000657875958 411614725 /nfs/dbraw/zinc/61/47/25/411614725.db2.gz QZNJKDMOAQVGKK-RDBSUJKOSA-N 2 1 240.391 1.633 20 30 BDEDMP CC#CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659306 411615191 /nfs/dbraw/zinc/61/51/91/411615191.db2.gz OBDSZKVHGVXHFH-ZDUSSCGKSA-N 2 1 206.333 1.427 20 30 BDEDMP CC#CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659306 411615193 /nfs/dbraw/zinc/61/51/93/411615193.db2.gz OBDSZKVHGVXHFH-ZDUSSCGKSA-N 2 1 206.333 1.427 20 30 BDEDMP CC#CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659306 411615194 /nfs/dbraw/zinc/61/51/94/411615194.db2.gz OBDSZKVHGVXHFH-ZDUSSCGKSA-N 2 1 206.333 1.427 20 30 BDEDMP CC#CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660659306 411615196 /nfs/dbraw/zinc/61/51/96/411615196.db2.gz OBDSZKVHGVXHFH-ZDUSSCGKSA-N 2 1 206.333 1.427 20 30 BDEDMP C=CC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](C)COC ZINC000662298948 412087218 /nfs/dbraw/zinc/08/72/18/412087218.db2.gz HQMVJZKMAZTFPD-STQMWFEESA-N 2 1 226.364 1.509 20 30 BDEDMP C[C@](C[NH3+])([NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000343743159 487673058 /nfs/dbraw/zinc/67/30/58/487673058.db2.gz JXMAZTBRZSLHKI-CQSZACIVSA-N 2 1 229.327 1.775 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CC)CC1 ZINC000567678889 323049110 /nfs/dbraw/zinc/04/91/10/323049110.db2.gz DLVZMWWQJFZCFV-ZDUSSCGKSA-N 2 1 226.364 1.387 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000535758003 323190577 /nfs/dbraw/zinc/19/05/77/323190577.db2.gz OQKFYGUNJWALBI-CHWSQXEVSA-N 2 1 249.358 1.537 20 30 BDEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])Nc1ccccc1 ZINC000328227920 324267022 /nfs/dbraw/zinc/26/70/22/324267022.db2.gz BZNIZEJZJOHDNF-UHFFFAOYSA-N 2 1 244.342 1.578 20 30 BDEDMP CC[NH+](CC)C[C@H]1CC[N@H+](CCCC#N)C1 ZINC000076001189 325325458 /nfs/dbraw/zinc/32/54/58/325325458.db2.gz BHZCHJIXYZMCSP-CYBMUJFWSA-N 2 1 223.364 1.954 20 30 BDEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCC#N)C1 ZINC000076001189 325325461 /nfs/dbraw/zinc/32/54/61/325325461.db2.gz BHZCHJIXYZMCSP-CYBMUJFWSA-N 2 1 223.364 1.954 20 30 BDEDMP CC[N@@H+]1CC[C@@H]([NH+](C)CC#CCOC)[C@H](C)C1 ZINC000677819292 488133993 /nfs/dbraw/zinc/13/39/93/488133993.db2.gz WOVYJXANFSZIME-ZIAGYGMSSA-N 2 1 238.375 1.298 20 30 BDEDMP CC[N@H+]1CC[C@@H]([NH+](C)CC#CCOC)[C@H](C)C1 ZINC000677819292 488133999 /nfs/dbraw/zinc/13/39/99/488133999.db2.gz WOVYJXANFSZIME-ZIAGYGMSSA-N 2 1 238.375 1.298 20 30 BDEDMP CC[NH+]1CC[C@@H]([N@H+](C)CC#CCOC)[C@H](C)C1 ZINC000677819292 488134004 /nfs/dbraw/zinc/13/40/04/488134004.db2.gz WOVYJXANFSZIME-ZIAGYGMSSA-N 2 1 238.375 1.298 20 30 BDEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CC#CCOC)[C@H](C)C1 ZINC000677819292 488134009 /nfs/dbraw/zinc/13/40/09/488134009.db2.gz WOVYJXANFSZIME-ZIAGYGMSSA-N 2 1 238.375 1.298 20 30 BDEDMP C#CC[N@@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000274041088 487507339 /nfs/dbraw/zinc/50/73/39/487507339.db2.gz FHFLTSOALAVXGW-UHFFFAOYSA-N 2 1 217.316 1.679 20 30 BDEDMP C#CC[N@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000274041088 487507342 /nfs/dbraw/zinc/50/73/42/487507342.db2.gz FHFLTSOALAVXGW-UHFFFAOYSA-N 2 1 217.316 1.679 20 30 BDEDMP COCC#CCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000677820219 487517804 /nfs/dbraw/zinc/51/78/04/487517804.db2.gz JJAZMCJPQIJYCJ-ZIAGYGMSSA-N 2 1 236.359 1.052 20 30 BDEDMP COCC#CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000677820219 487517807 /nfs/dbraw/zinc/51/78/07/487517807.db2.gz JJAZMCJPQIJYCJ-ZIAGYGMSSA-N 2 1 236.359 1.052 20 30 BDEDMP COCC#CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000677820219 487517810 /nfs/dbraw/zinc/51/78/10/487517810.db2.gz JJAZMCJPQIJYCJ-ZIAGYGMSSA-N 2 1 236.359 1.052 20 30 BDEDMP COCC#CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000677820219 487517814 /nfs/dbraw/zinc/51/78/14/487517814.db2.gz JJAZMCJPQIJYCJ-ZIAGYGMSSA-N 2 1 236.359 1.052 20 30 BDEDMP COCC#CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000677820219 487517817 /nfs/dbraw/zinc/51/78/17/487517817.db2.gz JJAZMCJPQIJYCJ-ZIAGYGMSSA-N 2 1 236.359 1.052 20 30 BDEDMP CC[N@@H+]1CC[C@H]([NH+](C)CC#CCOC)[C@@H](C)C1 ZINC000677819289 488134190 /nfs/dbraw/zinc/13/41/90/488134190.db2.gz WOVYJXANFSZIME-KBPBESRZSA-N 2 1 238.375 1.298 20 30 BDEDMP CC[N@H+]1CC[C@H]([NH+](C)CC#CCOC)[C@@H](C)C1 ZINC000677819289 488134196 /nfs/dbraw/zinc/13/41/96/488134196.db2.gz WOVYJXANFSZIME-KBPBESRZSA-N 2 1 238.375 1.298 20 30 BDEDMP CC[NH+]1CC[C@H]([N@H+](C)CC#CCOC)[C@@H](C)C1 ZINC000677819289 488134200 /nfs/dbraw/zinc/13/42/00/488134200.db2.gz WOVYJXANFSZIME-KBPBESRZSA-N 2 1 238.375 1.298 20 30 BDEDMP CC[NH+]1CC[C@H]([N@@H+](C)CC#CCOC)[C@@H](C)C1 ZINC000677819289 488134205 /nfs/dbraw/zinc/13/42/05/488134205.db2.gz WOVYJXANFSZIME-KBPBESRZSA-N 2 1 238.375 1.298 20 30 BDEDMP C=CCCC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000367025715 534718486 /nfs/dbraw/zinc/71/84/86/534718486.db2.gz DKXACENWNBRSCB-QWHCGFSZSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCCC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000367025715 534718487 /nfs/dbraw/zinc/71/84/87/534718487.db2.gz DKXACENWNBRSCB-QWHCGFSZSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCCC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000367025715 534718492 /nfs/dbraw/zinc/71/84/92/534718492.db2.gz DKXACENWNBRSCB-QWHCGFSZSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCCC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000367025715 534718500 /nfs/dbraw/zinc/71/85/00/534718500.db2.gz DKXACENWNBRSCB-QWHCGFSZSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363415004 534854641 /nfs/dbraw/zinc/85/46/41/534854641.db2.gz SWIKDAFOAJUQGC-JHJVBQTASA-N 2 1 206.333 1.589 20 30 BDEDMP C=CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363415004 534854642 /nfs/dbraw/zinc/85/46/42/534854642.db2.gz SWIKDAFOAJUQGC-JHJVBQTASA-N 2 1 206.333 1.589 20 30 BDEDMP C=CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363415004 534854645 /nfs/dbraw/zinc/85/46/45/534854645.db2.gz SWIKDAFOAJUQGC-JHJVBQTASA-N 2 1 206.333 1.589 20 30 BDEDMP C=CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363415004 534854647 /nfs/dbraw/zinc/85/46/47/534854647.db2.gz SWIKDAFOAJUQGC-JHJVBQTASA-N 2 1 206.333 1.589 20 30 BDEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NC(C)(C)C ZINC000104191484 583162574 /nfs/dbraw/zinc/16/25/74/583162574.db2.gz JMCBBXAYTITAQP-JTQLQIEISA-N 2 1 228.384 1.420 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](OC)[C@H](C)CC ZINC000894863475 583535946 /nfs/dbraw/zinc/53/59/46/583535946.db2.gz FBGCIQIFQXEMPX-KGLIPLIRSA-N 2 1 240.391 1.592 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](OC)[C@H](C)CC ZINC000894863475 583535947 /nfs/dbraw/zinc/53/59/47/583535947.db2.gz FBGCIQIFQXEMPX-KGLIPLIRSA-N 2 1 240.391 1.592 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C1CC(n2cccn2)C1 ZINC000894863361 583536372 /nfs/dbraw/zinc/53/63/72/583536372.db2.gz AIEUAVUWRYEWFW-UHFFFAOYSA-N 2 1 246.358 1.131 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CC(n2cccn2)C1 ZINC000894863361 583536373 /nfs/dbraw/zinc/53/63/73/583536373.db2.gz AIEUAVUWRYEWFW-UHFFFAOYSA-N 2 1 246.358 1.131 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CC(OC(C)C)C1 ZINC000894862562 583537238 /nfs/dbraw/zinc/53/72/38/583537238.db2.gz GXVYZADOGVTLES-UHFFFAOYSA-N 2 1 238.375 1.487 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C1CC(OC(C)C)C1 ZINC000894862562 583537241 /nfs/dbraw/zinc/53/72/41/583537241.db2.gz GXVYZADOGVTLES-UHFFFAOYSA-N 2 1 238.375 1.487 20 30 BDEDMP C[N@H+](CCC[NH3+])Cc1cc(Cl)cc(C#N)c1 ZINC000903424730 584764199 /nfs/dbraw/zinc/76/41/99/584764199.db2.gz DGMJNUNFBFTZHX-UHFFFAOYSA-N 2 1 237.734 1.992 20 30 BDEDMP C[N@@H+](CCC[NH3+])Cc1cc(Cl)cc(C#N)c1 ZINC000903424730 584764200 /nfs/dbraw/zinc/76/42/00/584764200.db2.gz DGMJNUNFBFTZHX-UHFFFAOYSA-N 2 1 237.734 1.992 20 30 BDEDMP C=CC[N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903747778 584795107 /nfs/dbraw/zinc/79/51/07/584795107.db2.gz XFJGOIPQQKKEKD-GFCCVEGCSA-N 2 1 224.348 1.263 20 30 BDEDMP C=CC[N@@H+](C[C@H]1CCCC[NH2+]C1)[C@H](C)COC ZINC000903766949 584797573 /nfs/dbraw/zinc/79/75/73/584797573.db2.gz DINSAOQWMFIWCJ-KGLIPLIRSA-N 2 1 240.391 1.899 20 30 BDEDMP C=CCC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815315 584801142 /nfs/dbraw/zinc/80/11/42/584801142.db2.gz MCCIGJHGPNJOBM-UHFFFAOYSA-N 2 1 224.348 1.407 20 30 BDEDMP C#CCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000760861095 585400436 /nfs/dbraw/zinc/40/04/36/585400436.db2.gz APBUKRJRIMDYLK-QWHCGFSZSA-N 2 1 208.349 1.672 20 30 BDEDMP C#CCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000760861095 585400437 /nfs/dbraw/zinc/40/04/37/585400437.db2.gz APBUKRJRIMDYLK-QWHCGFSZSA-N 2 1 208.349 1.672 20 30 BDEDMP C#CCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000760861095 585400438 /nfs/dbraw/zinc/40/04/38/585400438.db2.gz APBUKRJRIMDYLK-QWHCGFSZSA-N 2 1 208.349 1.672 20 30 BDEDMP C#CCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000764241171 585462654 /nfs/dbraw/zinc/46/26/54/585462654.db2.gz NXKSTHISCUPDIE-CYBMUJFWSA-N 2 1 208.349 1.816 20 30 BDEDMP C#CCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000764241171 585462655 /nfs/dbraw/zinc/46/26/55/585462655.db2.gz NXKSTHISCUPDIE-CYBMUJFWSA-N 2 1 208.349 1.816 20 30 BDEDMP C#CCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000764241171 585462656 /nfs/dbraw/zinc/46/26/56/585462656.db2.gz NXKSTHISCUPDIE-CYBMUJFWSA-N 2 1 208.349 1.816 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCO)CC1 ZINC000779405110 585753668 /nfs/dbraw/zinc/75/36/68/585753668.db2.gz NIPTUOFLMJGNOT-LBPRGKRZSA-N 2 1 226.364 1.387 20 30 BDEDMP CC(=NNC1=NC[C@@H](C)N1)c1ccc(N)cc1C ZINC000779794737 585764377 /nfs/dbraw/zinc/76/43/77/585764377.db2.gz MKNMDFNODBFKPX-SECBINFHSA-N 2 1 245.330 1.239 20 30 BDEDMP C#CCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815144173 586669567 /nfs/dbraw/zinc/66/95/67/586669567.db2.gz AYLYABZQCNHFPS-CYBMUJFWSA-N 2 1 206.333 1.427 20 30 BDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815144173 586669568 /nfs/dbraw/zinc/66/95/68/586669568.db2.gz AYLYABZQCNHFPS-CYBMUJFWSA-N 2 1 206.333 1.427 20 30 BDEDMP COc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1C#N ZINC000817915163 586839592 /nfs/dbraw/zinc/83/95/92/586839592.db2.gz HXKKPAWSCGFINN-STQMWFEESA-N 2 1 245.326 1.536 20 30 BDEDMP C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000817970410 586857861 /nfs/dbraw/zinc/85/78/61/586857861.db2.gz UYKUHQXHIQIPOR-RYUDHWBXSA-N 2 1 232.327 1.696 20 30 BDEDMP C#CCCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830647529 587562401 /nfs/dbraw/zinc/56/24/01/587562401.db2.gz MEZGHDSLCKVDFO-UHFFFAOYSA-N 2 1 236.359 1.196 20 30 BDEDMP C#C[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000847021111 588302456 /nfs/dbraw/zinc/30/24/56/588302456.db2.gz JAYTZPIHERZPDG-AWEZNQCLSA-N 2 1 231.343 1.927 20 30 BDEDMP C#C[C@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000847021111 588302457 /nfs/dbraw/zinc/30/24/57/588302457.db2.gz JAYTZPIHERZPDG-AWEZNQCLSA-N 2 1 231.343 1.927 20 30 BDEDMP C#C[C@@H]1CCC[N@@H+](CCn2ccnc2)C1 ZINC000847021731 588302662 /nfs/dbraw/zinc/30/26/62/588302662.db2.gz OGNLROKGDJHGSM-GFCCVEGCSA-N 2 1 203.289 1.228 20 30 BDEDMP CCNC(NCC[N@H+]1CCC[C@H]1C)=[NH+]CC ZINC000849214544 588461754 /nfs/dbraw/zinc/46/17/54/588461754.db2.gz NUMFRGCXJBAFFC-LLVKDONJSA-N 2 1 226.368 1.046 20 30 BDEDMP C#CCOCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000851798110 588629778 /nfs/dbraw/zinc/62/97/78/588629778.db2.gz YDNYRVFNRBQTFM-QWHCGFSZSA-N 2 1 224.348 1.051 20 30 BDEDMP C#CCOCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000851798110 588629779 /nfs/dbraw/zinc/62/97/79/588629779.db2.gz YDNYRVFNRBQTFM-QWHCGFSZSA-N 2 1 224.348 1.051 20 30 BDEDMP C#CCOCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000851798110 588629780 /nfs/dbraw/zinc/62/97/80/588629780.db2.gz YDNYRVFNRBQTFM-QWHCGFSZSA-N 2 1 224.348 1.051 20 30 BDEDMP C#CCOCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000851798110 588629781 /nfs/dbraw/zinc/62/97/81/588629781.db2.gz YDNYRVFNRBQTFM-QWHCGFSZSA-N 2 1 224.348 1.051 20 30 BDEDMP C#CCOCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000852092316 588661264 /nfs/dbraw/zinc/66/12/64/588661264.db2.gz SVGHFXSRUCIZPH-AWEZNQCLSA-N 2 1 236.359 1.054 20 30 BDEDMP C#CCOCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000852092316 588661265 /nfs/dbraw/zinc/66/12/65/588661265.db2.gz SVGHFXSRUCIZPH-AWEZNQCLSA-N 2 1 236.359 1.054 20 30 BDEDMP C#CCOCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000852092316 588661266 /nfs/dbraw/zinc/66/12/66/588661266.db2.gz SVGHFXSRUCIZPH-AWEZNQCLSA-N 2 1 236.359 1.054 20 30 BDEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000203030368 589209054 /nfs/dbraw/zinc/20/90/54/589209054.db2.gz DZWWNMUEYHXIOM-NSHDSACASA-N 2 1 238.379 1.175 20 30 BDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)C ZINC000203020452 589209060 /nfs/dbraw/zinc/20/90/60/589209060.db2.gz DQHSUZJNPGZDHZ-NSHDSACASA-N 2 1 226.368 1.031 20 30 BDEDMP C[N@H+](CCc1cccc(C#N)c1)CC(C)(C)[NH3+] ZINC000873220522 589998923 /nfs/dbraw/zinc/99/89/23/589998923.db2.gz TYEBYKGOFAANCM-UHFFFAOYSA-N 2 1 231.343 1.770 20 30 BDEDMP C[N@@H+](CCc1cccc(C#N)c1)CC(C)(C)[NH3+] ZINC000873220522 589998925 /nfs/dbraw/zinc/99/89/25/589998925.db2.gz TYEBYKGOFAANCM-UHFFFAOYSA-N 2 1 231.343 1.770 20 30 BDEDMP C=CC[C@H](C)[N@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000878865859 590635547 /nfs/dbraw/zinc/63/55/47/590635547.db2.gz OKMAEZSWLSINDF-QWHCGFSZSA-N 2 1 226.364 1.340 20 30 BDEDMP C=CC[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878865859 590635549 /nfs/dbraw/zinc/63/55/49/590635549.db2.gz OKMAEZSWLSINDF-QWHCGFSZSA-N 2 1 226.364 1.340 20 30 BDEDMP C=CC[C@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878865859 590635551 /nfs/dbraw/zinc/63/55/51/590635551.db2.gz OKMAEZSWLSINDF-QWHCGFSZSA-N 2 1 226.364 1.340 20 30 BDEDMP C#CC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702526 590852274 /nfs/dbraw/zinc/85/22/74/590852274.db2.gz OKKYFXZMVZLYCP-UHFFFAOYSA-N 2 1 222.376 1.919 20 30 BDEDMP C=CC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880262666 590980665 /nfs/dbraw/zinc/98/06/65/590980665.db2.gz RRDINYCDBFUVDL-GFCCVEGCSA-N 2 1 217.316 1.778 20 30 BDEDMP C=C(C)C[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000883390202 591641616 /nfs/dbraw/zinc/64/16/16/591641616.db2.gz HYSVQTNBKJHIQW-RWMBFGLXSA-N 2 1 226.364 1.386 20 30 BDEDMP C=C(C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000883390202 591641620 /nfs/dbraw/zinc/64/16/20/591641620.db2.gz HYSVQTNBKJHIQW-RWMBFGLXSA-N 2 1 226.364 1.386 20 30 BDEDMP C#CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]c(CC)c2)C1 ZINC000884610532 591993965 /nfs/dbraw/zinc/99/39/65/591993965.db2.gz OSYPSNLPNLKOOK-OAHLLOKOSA-N 2 1 243.354 1.575 20 30 BDEDMP C=C(C)CNC(=[NH2+])NCC[N@@H+]1CC[C@H](C)C1 ZINC000849005067 631905582 /nfs/dbraw/zinc/90/55/82/631905582.db2.gz UEZLJWIUQPKFBA-NSHDSACASA-N 2 1 224.352 1.018 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CSC[C@H]1C ZINC000327999040 633213003 /nfs/dbraw/zinc/21/30/03/633213003.db2.gz NJXDDQMIOLBDAI-VXGBXAGGSA-N 2 1 226.389 1.283 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CSC[C@H]1C ZINC000327999040 633213008 /nfs/dbraw/zinc/21/30/08/633213008.db2.gz NJXDDQMIOLBDAI-VXGBXAGGSA-N 2 1 226.389 1.283 20 30 BDEDMP C#CCSCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309227657 633869039 /nfs/dbraw/zinc/86/90/39/633869039.db2.gz HTYXRMZDMDWPEO-UHFFFAOYSA-N 2 1 238.400 1.569 20 30 BDEDMP C=C(C)[C@@H](CO)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931354869 634372584 /nfs/dbraw/zinc/37/25/84/634372584.db2.gz PBYGHDYIDOLCSE-GFCCVEGCSA-N 2 1 226.364 1.340 20 30 BDEDMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)NC(C)(C)C ZINC000303488792 636309936 /nfs/dbraw/zinc/30/99/36/636309936.db2.gz WKFRXMIGHUXQPE-SNVBAGLBSA-N 2 1 226.368 1.044 20 30 BDEDMP CC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 ZINC000303987741 636320715 /nfs/dbraw/zinc/32/07/15/636320715.db2.gz JLGXJUKTEZGXKP-WDEREUQCSA-N 2 1 226.368 1.031 20 30 BDEDMP C[N@@H+]1C[C@]2(C)C[NH+]([C@@H]3CC[C@H](C#N)C3)C[C@]2(C)C1 ZINC000931314022 640152219 /nfs/dbraw/zinc/15/22/19/640152219.db2.gz IKCVHPCHFLKZCP-LJISPDSOSA-N 2 1 247.386 1.952 20 30 BDEDMP C[N@H+]1C[C@]2(C)C[NH+]([C@@H]3CC[C@H](C#N)C3)C[C@]2(C)C1 ZINC000931314022 640152226 /nfs/dbraw/zinc/15/22/26/640152226.db2.gz IKCVHPCHFLKZCP-LJISPDSOSA-N 2 1 247.386 1.952 20 30 BDEDMP C[NH+]1C[C@]2(C)C[N@@H+]([C@@H]3CC[C@H](C#N)C3)C[C@]2(C)C1 ZINC000931314022 640152234 /nfs/dbraw/zinc/15/22/34/640152234.db2.gz IKCVHPCHFLKZCP-LJISPDSOSA-N 2 1 247.386 1.952 20 30 BDEDMP C[NH+]1C[C@]2(C)C[N@H+]([C@@H]3CC[C@H](C#N)C3)C[C@]2(C)C1 ZINC000931314022 640152239 /nfs/dbraw/zinc/15/22/39/640152239.db2.gz IKCVHPCHFLKZCP-LJISPDSOSA-N 2 1 247.386 1.952 20 30 BDEDMP C=CC[C@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931443106 640198641 /nfs/dbraw/zinc/19/86/41/640198641.db2.gz RLSANHNCNINWBZ-RWMBFGLXSA-N 2 1 208.349 1.835 20 30 BDEDMP C=CCCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931439139 640202356 /nfs/dbraw/zinc/20/23/56/640202356.db2.gz LVKWOOHYCSWEBK-OLZOCXBDSA-N 2 1 208.349 1.836 20 30 BDEDMP C=CCCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931439139 640202360 /nfs/dbraw/zinc/20/23/60/640202360.db2.gz LVKWOOHYCSWEBK-OLZOCXBDSA-N 2 1 208.349 1.836 20 30 BDEDMP C=CCCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931439139 640202363 /nfs/dbraw/zinc/20/23/63/640202363.db2.gz LVKWOOHYCSWEBK-OLZOCXBDSA-N 2 1 208.349 1.836 20 30 BDEDMP C=CCCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933740019 640759442 /nfs/dbraw/zinc/75/94/42/640759442.db2.gz GHTPLQHQGHNTIW-OLZOCXBDSA-N 2 1 208.349 1.836 20 30 BDEDMP C=CCCC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933740019 640759443 /nfs/dbraw/zinc/75/94/43/640759443.db2.gz GHTPLQHQGHNTIW-OLZOCXBDSA-N 2 1 208.349 1.836 20 30 BDEDMP C=CCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933740019 640759444 /nfs/dbraw/zinc/75/94/44/640759444.db2.gz GHTPLQHQGHNTIW-OLZOCXBDSA-N 2 1 208.349 1.836 20 30 BDEDMP C#C[C@@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000229892795 640992435 /nfs/dbraw/zinc/99/24/35/640992435.db2.gz VUKJZWJLAVFSCJ-WODVXLOZSA-N 2 1 206.333 1.613 20 30 BDEDMP CNC(NC[C@@H]1CCC[N@@H+](CC(C)C)C1)=[NH+]C ZINC000305208502 641178711 /nfs/dbraw/zinc/17/87/11/641178711.db2.gz OUUWURRQVARXPY-LBPRGKRZSA-N 2 1 240.395 1.149 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000923280819 644315352 /nfs/dbraw/zinc/31/53/52/644315352.db2.gz JOFLOJAXOLLJKV-AVGNSLFASA-N 2 1 226.364 1.515 20 30 BDEDMP C=CCC[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329689 644349490 /nfs/dbraw/zinc/34/94/90/644349490.db2.gz XHIMKNHRPGJRPM-PIGZVRMJSA-N 2 1 238.375 1.528 20 30 BDEDMP C=CC[C@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923397748 644405292 /nfs/dbraw/zinc/40/52/92/644405292.db2.gz GKENZRMSHFFOQU-STQMWFEESA-N 2 1 236.359 1.263 20 30 BDEDMP C=C(Cl)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923491957 644468262 /nfs/dbraw/zinc/46/82/62/644468262.db2.gz VJSZYUNUOHOSAA-SCZZXKLOSA-N 2 1 202.729 1.656 20 30 BDEDMP CC[C@@H](C)NC(=[NH2+])NCC[N@@H+](C)C(C)C ZINC000303364259 644819142 /nfs/dbraw/zinc/81/91/42/644819142.db2.gz FMNYENMFAYIHKR-SNVBAGLBSA-N 2 1 214.357 1.029 20 30 BDEDMP CC[N@@H+](CCNC(=[NH2+])NCCC(C)C)C1CC1 ZINC000303976017 644861183 /nfs/dbraw/zinc/86/11/83/644861183.db2.gz JRBFILSPXGDYPF-UHFFFAOYSA-N 2 1 240.395 1.421 20 30 BDEDMP CCCC[N@@H+](C)CCNC(=[NH2+])NC(C)C ZINC000304752354 644929932 /nfs/dbraw/zinc/92/99/32/644929932.db2.gz KDOKVSIIQGISMQ-UHFFFAOYSA-N 2 1 214.357 1.031 20 30 BDEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NC(C)C ZINC000304743604 644929965 /nfs/dbraw/zinc/92/99/65/644929965.db2.gz DERKDIOJNOCUSY-LLVKDONJSA-N 2 1 226.368 1.174 20 30 BDEDMP C=CC[N@@H+](CC(=O)OCC)CC1CC[NH2+]CC1 ZINC000843060393 645256338 /nfs/dbraw/zinc/25/63/38/645256338.db2.gz HAIFIGJJPFGGRW-UHFFFAOYSA-N 2 1 240.347 1.037 20 30 BDEDMP C=CC[N@H+](CC(=O)OCC)CC1CC[NH2+]CC1 ZINC000843060393 645256345 /nfs/dbraw/zinc/25/63/45/645256345.db2.gz HAIFIGJJPFGGRW-UHFFFAOYSA-N 2 1 240.347 1.037 20 30 BDEDMP CC[N@H+]1CC[C@@H](N(C)C[C@H](O)CC#N)C[C@H]1C ZINC000929779741 646307279 /nfs/dbraw/zinc/30/72/79/646307279.db2.gz IISMKSXGLPIBMF-JHJVBQTASA-N 2 1 239.363 1.066 20 30 BDEDMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000925711988 646436591 /nfs/dbraw/zinc/43/65/91/646436591.db2.gz YROCAIORSLNSRR-HBNTYKKESA-N 2 1 207.321 1.409 20 30 BDEDMP C=C(C)C[C@H](CO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000925772788 646473161 /nfs/dbraw/zinc/47/31/61/646473161.db2.gz UQNRHBFOCQTDAC-QJPTWQEYSA-N 2 1 212.337 1.044 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1[C@H](C)CC[C@@H]1C ZINC000926490318 646660897 /nfs/dbraw/zinc/66/08/97/646660897.db2.gz NMYZSEPYIFEBCH-WDNDVIMCSA-N 2 1 222.376 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1[C@H](C)CC[C@@H]1C ZINC000926490318 646660900 /nfs/dbraw/zinc/66/09/00/646660900.db2.gz NMYZSEPYIFEBCH-WDNDVIMCSA-N 2 1 222.376 1.966 20 30 BDEDMP C#CCCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000161136769 711663033 /nfs/dbraw/zinc/66/30/33/711663033.db2.gz XKOXHBBFLPUHRC-UHFFFAOYSA-N 2 1 208.349 1.816 20 30 BDEDMP C#CCCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000161136769 711663035 /nfs/dbraw/zinc/66/30/35/711663035.db2.gz XKOXHBBFLPUHRC-UHFFFAOYSA-N 2 1 208.349 1.816 20 30 BDEDMP C[C@H](CC[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC000700427732 711993379 /nfs/dbraw/zinc/99/33/79/711993379.db2.gz NZKCMSVTQBLBHV-GFCCVEGCSA-N 2 1 231.343 1.988 20 30 BDEDMP C#CCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705640060 712134381 /nfs/dbraw/zinc/13/43/81/712134381.db2.gz AISBZDVJGUASCJ-BETUJISGSA-N 2 1 206.333 1.283 20 30 BDEDMP C#CCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705640060 712134383 /nfs/dbraw/zinc/13/43/83/712134383.db2.gz AISBZDVJGUASCJ-BETUJISGSA-N 2 1 206.333 1.283 20 30 BDEDMP C#CCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705640060 712134386 /nfs/dbraw/zinc/13/43/86/712134386.db2.gz AISBZDVJGUASCJ-BETUJISGSA-N 2 1 206.333 1.283 20 30 BDEDMP C#CCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705640060 712134387 /nfs/dbraw/zinc/13/43/87/712134387.db2.gz AISBZDVJGUASCJ-BETUJISGSA-N 2 1 206.333 1.283 20 30 BDEDMP C#CC[C@@H](COC)[NH2+]C1CC[NH+](CC)CC1 ZINC000716931815 712596779 /nfs/dbraw/zinc/59/67/79/712596779.db2.gz AQVRNMJDCGPKOQ-ZDUSSCGKSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@@H+](C)CCCN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000392840302 711153771 /nfs/dbraw/zinc/15/37/71/711153771.db2.gz YUOJHVUIAOVAFW-HUUCEWRRSA-N 3 1 249.402 1.158 20 30 BDEDMP C#CC[NH+](C)CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000392840302 711153773 /nfs/dbraw/zinc/15/37/73/711153773.db2.gz YUOJHVUIAOVAFW-HUUCEWRRSA-N 2 1 249.402 1.158 20 30 BDEDMP C#CC[NH+](C)CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000392840302 711153776 /nfs/dbraw/zinc/15/37/76/711153776.db2.gz YUOJHVUIAOVAFW-HUUCEWRRSA-N 2 1 249.402 1.158 20 30 BDEDMP C#CCN(C)CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000392840302 711153783 /nfs/dbraw/zinc/15/37/83/711153783.db2.gz YUOJHVUIAOVAFW-HUUCEWRRSA-N 2 1 249.402 1.158 20 30 BDEDMP C#CCN(C)CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000392840302 711153788 /nfs/dbraw/zinc/15/37/88/711153788.db2.gz YUOJHVUIAOVAFW-HUUCEWRRSA-N 2 1 249.402 1.158 20 30 BDEDMP CCNC(NC[C@@H]1CC[N@H+](C(C)C)C1)=[NH+]CC ZINC000395997476 711219014 /nfs/dbraw/zinc/21/90/14/711219014.db2.gz YHOXFZHZEIVJET-LBPRGKRZSA-N 2 1 240.395 1.292 20 30 BDEDMP C#CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]c(C)c2)C1 ZINC000884611958 712647973 /nfs/dbraw/zinc/64/79/73/712647973.db2.gz ZQDJULREYYUOHF-CQSZACIVSA-N 2 1 229.327 1.321 20 30 BDEDMP C=CCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720874206 712873358 /nfs/dbraw/zinc/87/33/58/712873358.db2.gz WZSWRBNZSRNHQX-IUCAKERBSA-N 2 1 222.254 1.632 20 30 BDEDMP C=CCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720874208 712873391 /nfs/dbraw/zinc/87/33/91/712873391.db2.gz WZSWRBNZSRNHQX-RKDXNWHRSA-N 2 1 222.254 1.632 20 30 BDEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCS)C2 ZINC001169107630 969445218 /nfs/dbraw/zinc/44/52/18/969445218.db2.gz IMKBORAWDSBDQT-JGPRNRPPSA-N 2 1 214.378 1.521 20 30 BDEDMP C=CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254522239 969710528 /nfs/dbraw/zinc/71/05/28/969710528.db2.gz FJJUEIFTCCTVAL-CQSZACIVSA-N 2 1 237.391 1.274 20 30 BDEDMP C=CC[NH+]1CCN([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254522239 969710535 /nfs/dbraw/zinc/71/05/35/969710535.db2.gz FJJUEIFTCCTVAL-CQSZACIVSA-N 2 1 237.391 1.274 20 30 BDEDMP C#C[C@H]1CCCN(C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235947009 979213666 /nfs/dbraw/zinc/21/36/66/979213666.db2.gz UOBQESZHTAQNKV-RYUDHWBXSA-N 2 1 222.332 1.056 20 30 BDEDMP Cc1[nH+]c(N2CC[C@@](F)(C[NH3+])C2)ccc1CC#N ZINC001157816177 970823530 /nfs/dbraw/zinc/82/35/30/970823530.db2.gz DEKRAYDWUYZOEY-CYBMUJFWSA-N 2 1 248.305 1.333 20 30 BDEDMP C#CC[N@H+](C)C1CCC([NH+]2CCOCC2)CC1 ZINC001256698035 970925540 /nfs/dbraw/zinc/92/55/40/970925540.db2.gz KJPZFWWAPUIMTI-UHFFFAOYSA-N 2 1 236.359 1.195 20 30 BDEDMP C=CCCC[N@@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206156702 974327419 /nfs/dbraw/zinc/32/74/19/974327419.db2.gz SCGYBMNVRSCLTG-WDEREUQCSA-N 2 1 200.301 1.714 20 30 BDEDMP C=CCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156702 974327427 /nfs/dbraw/zinc/32/74/27/974327427.db2.gz SCGYBMNVRSCLTG-WDEREUQCSA-N 2 1 200.301 1.714 20 30 BDEDMP C=CCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156702 974327437 /nfs/dbraw/zinc/32/74/37/974327437.db2.gz SCGYBMNVRSCLTG-WDEREUQCSA-N 2 1 200.301 1.714 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246019036 972117127 /nfs/dbraw/zinc/11/71/27/972117127.db2.gz HEOVJTRNAXEQPI-STQMWFEESA-N 2 1 244.354 1.466 20 30 BDEDMP C[NH+](C)CCC[N@@H+](C)CCc1ccc(C#N)cc1 ZINC001208920319 957243458 /nfs/dbraw/zinc/24/34/58/957243458.db2.gz FKQSQVKFEIFQIR-UHFFFAOYSA-N 2 1 245.370 1.984 20 30 BDEDMP C#CCCC[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001209267337 957374864 /nfs/dbraw/zinc/37/48/64/957374864.db2.gz GCBYCLNWPFFPOG-OKILXGFUSA-N 2 1 220.360 1.673 20 30 BDEDMP C#CCCC[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001209267337 957374878 /nfs/dbraw/zinc/37/48/78/957374878.db2.gz GCBYCLNWPFFPOG-OKILXGFUSA-N 2 1 220.360 1.673 20 30 BDEDMP C#CCCC[N@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001209267337 957374891 /nfs/dbraw/zinc/37/48/91/957374891.db2.gz GCBYCLNWPFFPOG-OKILXGFUSA-N 2 1 220.360 1.673 20 30 BDEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C1CC[NH+](C)CC1 ZINC000695811458 962201627 /nfs/dbraw/zinc/20/16/27/962201627.db2.gz IZIZTFRGRJTZBD-NSHDSACASA-N 2 1 223.364 1.999 20 30 BDEDMP C#CC[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000895563078 963433613 /nfs/dbraw/zinc/43/36/13/963433613.db2.gz SSRCVCKNQPTLTD-ZDUSSCGKSA-N 2 1 220.360 1.673 20 30 BDEDMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](C#N)C2)CC1 ZINC001168327672 964461363 /nfs/dbraw/zinc/46/13/63/964461363.db2.gz QXWJANIVOIHGKH-HIFPTAJRSA-N 2 1 221.348 1.705 20 30 BDEDMP N#Cc1ccccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205093696 965719806 /nfs/dbraw/zinc/71/98/06/965719806.db2.gz FAHKFIAEDUOKHP-CQSZACIVSA-N 2 1 229.327 1.871 20 30 BDEDMP N#Cc1ccccc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205093696 965719815 /nfs/dbraw/zinc/71/98/15/965719815.db2.gz FAHKFIAEDUOKHP-CQSZACIVSA-N 2 1 229.327 1.871 20 30 BDEDMP C=CCn1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC001205141204 967388467 /nfs/dbraw/zinc/38/84/67/967388467.db2.gz YJSOIIUXOHYJJF-WCQYABFASA-N 2 1 234.347 1.096 20 30 BDEDMP C[C@@]1([NH3+])CCC[N@H+](Cc2cncc(C#N)c2)CC1 ZINC001205280486 967472142 /nfs/dbraw/zinc/47/21/42/967472142.db2.gz AKUGEZNBTFOGHO-CQSZACIVSA-N 2 1 244.342 1.657 20 30 BDEDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cncc(C#N)c2)CC1 ZINC001205280486 967472148 /nfs/dbraw/zinc/47/21/48/967472148.db2.gz AKUGEZNBTFOGHO-CQSZACIVSA-N 2 1 244.342 1.657 20 30 BDEDMP N#C[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000693912135 967612006 /nfs/dbraw/zinc/61/20/06/967612006.db2.gz MVJZQHGSKUZIAJ-LBPRGKRZSA-N 2 1 207.321 1.222 20 30 BDEDMP C=CCCC[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205663356 967748326 /nfs/dbraw/zinc/74/83/26/967748326.db2.gz HYQORRPSPAPHGM-GFCCVEGCSA-N 2 1 212.337 1.128 20 30 BDEDMP C=CCCCCCCC[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206464259 968324523 /nfs/dbraw/zinc/32/45/23/968324523.db2.gz LGYZFIVSAWWGFF-UONOGXRCSA-N 2 1 240.391 1.764 20 30 BDEDMP C=C[C@](C)(O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001252579979 968833345 /nfs/dbraw/zinc/83/33/45/968833345.db2.gz ZPBUPPBIHAVMOW-CRWXNKLISA-N 2 1 238.375 1.528 20 30 BDEDMP C=CCC[C@H](O)C[N@H+](C)CCC[NH+](C)C ZINC001252590020 968846756 /nfs/dbraw/zinc/84/67/56/968846756.db2.gz XXVPKXGOTAFWBG-LBPRGKRZSA-N 2 1 214.353 1.197 20 30 BDEDMP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(S)CC1 ZINC001253187222 969094800 /nfs/dbraw/zinc/09/48/00/969094800.db2.gz CCWPGOHXFYQNSI-NSHDSACASA-N 2 1 246.420 1.083 20 30 BDEDMP C=C[C@H](O)C[NH+]1CCC([NH+](CC)CC)CC1 ZINC001253578834 969251145 /nfs/dbraw/zinc/25/11/45/969251145.db2.gz ILDDTBWPXKLNIP-ZDUSSCGKSA-N 2 1 226.364 1.340 20 30 BDEDMP C=C[C@@H](O)C[N@@H+](CCC)CCC[NH+](C)C ZINC001253586146 969268082 /nfs/dbraw/zinc/26/80/82/969268082.db2.gz HHZNECGLRFYUAE-GFCCVEGCSA-N 2 1 214.353 1.197 20 30 BDEDMP C#C[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169142653 969451741 /nfs/dbraw/zinc/45/17/41/969451741.db2.gz FERHTDZTIJYSPX-XQLPTFJDSA-N 2 1 232.371 1.957 20 30 BDEDMP C#C[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169142653 969451743 /nfs/dbraw/zinc/45/17/43/969451743.db2.gz FERHTDZTIJYSPX-XQLPTFJDSA-N 2 1 232.371 1.957 20 30 BDEDMP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(C#N)nc2)CC1 ZINC001254513041 969681561 /nfs/dbraw/zinc/68/15/61/969681561.db2.gz WBKVEZVVEXACFD-ZDUSSCGKSA-N 2 1 244.342 1.527 20 30 BDEDMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C#N)nc2)CC1 ZINC001254513041 969681568 /nfs/dbraw/zinc/68/15/68/969681568.db2.gz WBKVEZVVEXACFD-ZDUSSCGKSA-N 2 1 244.342 1.527 20 30 BDEDMP C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCC[C@H]1C[NH3+] ZINC001246567438 972817115 /nfs/dbraw/zinc/81/71/15/972817115.db2.gz KUVKVLQHVPBKAF-ZOBORPQBSA-N 2 1 235.375 1.985 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@]23CCC[NH2+]C3)C1 ZINC001246609055 973031722 /nfs/dbraw/zinc/03/17/22/973031722.db2.gz KNQZPKMGECGEPF-RDBSUJKOSA-N 2 1 233.359 1.897 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@]23CCC[NH2+]C3)C1 ZINC001246609055 973031729 /nfs/dbraw/zinc/03/17/29/973031729.db2.gz KNQZPKMGECGEPF-RDBSUJKOSA-N 2 1 233.359 1.897 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)C1 ZINC001246863910 973191441 /nfs/dbraw/zinc/19/14/41/973191441.db2.gz SSUUKAWBIHWSSR-RHYQMDGZSA-N 2 1 205.305 1.102 20 30 BDEDMP N#CC1CCC([N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246876574 973272808 /nfs/dbraw/zinc/27/28/08/973272808.db2.gz ZRXDNZKOPYMBEC-RUJICJSRSA-N 2 1 205.305 1.102 20 30 BDEDMP N#CC1CCC([N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246876574 973272821 /nfs/dbraw/zinc/27/28/21/973272821.db2.gz ZRXDNZKOPYMBEC-RUJICJSRSA-N 2 1 205.305 1.102 20 30 BDEDMP C#CC[N@H+](C)C1CC[NH+](CCCOC)CC1 ZINC001172255974 974513370 /nfs/dbraw/zinc/51/33/70/974513370.db2.gz QGRHCYVJLVUXEN-UHFFFAOYSA-N 2 1 224.348 1.052 20 30 BDEDMP C#CC[N@@H+](C)C1CC[NH+](CCCOC)CC1 ZINC001172255974 974513368 /nfs/dbraw/zinc/51/33/68/974513368.db2.gz QGRHCYVJLVUXEN-UHFFFAOYSA-N 2 1 224.348 1.052 20 30 BDEDMP CC[N@H+]1CC[C@@H](NC(=[NH2+])c2ccc(F)cn2)C1 ZINC001173350833 975296351 /nfs/dbraw/zinc/29/63/51/975296351.db2.gz QLXUPNHSIIMHHI-SNVBAGLBSA-N 2 1 236.294 1.020 20 30 BDEDMP C[N@@H+]1C[C@@H]2C[NH+](C3CCC(C)(C#N)CC3)C[C@@H]2C1 ZINC001173598038 975469338 /nfs/dbraw/zinc/46/93/38/975469338.db2.gz MJIGQXMDALSTOW-DGKWVBSXSA-N 2 1 247.386 1.952 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@H+](C3CCC(C)(C#N)CC3)C[C@@H]2C1 ZINC001173598038 975469382 /nfs/dbraw/zinc/46/93/82/975469382.db2.gz MJIGQXMDALSTOW-DGKWVBSXSA-N 2 1 247.386 1.952 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@@H+](C3CCC(C)(C#N)CC3)C[C@@H]2C1 ZINC001173598038 975469396 /nfs/dbraw/zinc/46/93/96/975469396.db2.gz MJIGQXMDALSTOW-DGKWVBSXSA-N 2 1 247.386 1.952 20 30 BDEDMP C=CC[NH+]1CCC(Nc2cc[nH+]c(N)n2)CC1 ZINC001337851370 978526804 /nfs/dbraw/zinc/52/68/04/978526804.db2.gz NJVWWHOGRQBNOJ-UHFFFAOYSA-N 2 1 233.319 1.121 20 30 BDEDMP CCCCCCCN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234982300 978941144 /nfs/dbraw/zinc/94/11/44/978941144.db2.gz SFAQIHXRRDDKDO-CQSZACIVSA-N 2 1 239.407 1.594 20 30 BDEDMP C=CCCCCC[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235054604 978965739 /nfs/dbraw/zinc/96/57/39/978965739.db2.gz XAROIDBUABYFSY-AWEZNQCLSA-N 2 1 237.391 1.370 20 30 BDEDMP C=C(C)C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001346179121 980778578 /nfs/dbraw/zinc/77/85/78/980778578.db2.gz HBUYZKHLLHRCGB-OAHLLOKOSA-N 2 1 248.370 1.645 20 30 BDEDMP C=C(C)C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001346179121 980778581 /nfs/dbraw/zinc/77/85/81/980778581.db2.gz HBUYZKHLLHRCGB-OAHLLOKOSA-N 2 1 248.370 1.645 20 30 BDEDMP C#CCCC[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001275975977 984762084 /nfs/dbraw/zinc/76/20/84/984762084.db2.gz UTCQBZHFFKIFJK-UHFFFAOYSA-N 2 1 220.360 1.818 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246017606 987300275 /nfs/dbraw/zinc/30/02/75/987300275.db2.gz RYCSTMLHJVFSRQ-NWDGAFQWSA-N 2 1 212.337 1.127 20 30 BDEDMP C=C[C@](C)(O)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246017903 987300587 /nfs/dbraw/zinc/30/05/87/987300587.db2.gz CQMDQMVGABJSCJ-RYUDHWBXSA-N 2 1 212.337 1.127 20 30 BDEDMP C=C[C@](C)(O)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246018320 987301531 /nfs/dbraw/zinc/30/15/31/987301531.db2.gz AUSIFEIIDPXLSN-OLZOCXBDSA-N 2 1 226.364 1.374 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246018866 987306934 /nfs/dbraw/zinc/30/69/34/987306934.db2.gz CBSANNOVRZTXQW-OLZOCXBDSA-N 2 1 244.354 1.466 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246018866 987306939 /nfs/dbraw/zinc/30/69/39/987306939.db2.gz CBSANNOVRZTXQW-OLZOCXBDSA-N 2 1 244.354 1.466 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246053794 987345717 /nfs/dbraw/zinc/34/57/17/987345717.db2.gz VCSPQXOHOFJANP-MJBXVCDLSA-N 2 1 238.375 1.245 20 30 BDEDMP C[C@H](CCCC#N)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246083144 987366858 /nfs/dbraw/zinc/36/68/58/987366858.db2.gz DJAOMQCJCZZDQH-TUAOUCFPSA-N 2 1 209.337 1.799 20 30 BDEDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)nc2)CC[NH2+]1 ZINC001246422396 987795757 /nfs/dbraw/zinc/79/57/57/987795757.db2.gz SUIYDPMDQFEXHO-JQWIXIFHSA-N 2 1 230.315 1.183 20 30 BDEDMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C1CCC(CC#N)CC1 ZINC001246540858 987902302 /nfs/dbraw/zinc/90/23/02/987902302.db2.gz FSFGSZFTISMLIB-IKWCTNDRSA-N 2 1 221.348 1.880 20 30 BDEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246545143 987923711 /nfs/dbraw/zinc/92/37/11/987923711.db2.gz UCMCTLOBFPLEHG-YWPYICTPSA-N 2 1 243.354 1.911 20 30 BDEDMP N#CC1CCC([N@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001246548123 987940193 /nfs/dbraw/zinc/94/01/93/987940193.db2.gz RALMOEUKGJHFFO-CPCZMJQVSA-N 2 1 221.348 1.882 20 30 BDEDMP CC[C@@H](CC#N)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246552840 987954061 /nfs/dbraw/zinc/95/40/61/987954061.db2.gz VTWJZGBSRSACFA-RYUDHWBXSA-N 2 1 227.327 1.832 20 30 BDEDMP C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)CC[C@@H]1C[NH3+] ZINC001246553999 987962907 /nfs/dbraw/zinc/96/29/07/987962907.db2.gz AOKYNAWMJVCJCH-XJFOESAGSA-N 2 1 235.375 1.985 20 30 BDEDMP C[C@H](CCCC#N)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246564154 988003659 /nfs/dbraw/zinc/00/36/59/988003659.db2.gz WBWHLAIZEPGEMH-OLZOCXBDSA-N 2 1 239.363 1.244 20 30 BDEDMP C[C@H](CCCC#N)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246562743 988010344 /nfs/dbraw/zinc/01/03/44/988010344.db2.gz ZLCKNWWNFPNEGR-GHMZBOCLSA-N 2 1 245.317 1.985 20 30 BDEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246567644 988028808 /nfs/dbraw/zinc/02/88/08/988028808.db2.gz MTZGQDWCIQLOIO-TYNCELHUSA-N 2 1 243.354 1.768 20 30 BDEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246567644 988028823 /nfs/dbraw/zinc/02/88/23/988028823.db2.gz MTZGQDWCIQLOIO-TYNCELHUSA-N 2 1 243.354 1.768 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)C1 ZINC001246590881 988169113 /nfs/dbraw/zinc/16/91/13/988169113.db2.gz IKDMRHXWECTMKK-AGIUHOORSA-N 2 1 221.348 1.739 20 30 BDEDMP C=CCC[C@H](C)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246607226 988227486 /nfs/dbraw/zinc/22/74/86/988227486.db2.gz VLHACUMCYITVTQ-ZDUSSCGKSA-N 2 1 237.391 1.369 20 30 BDEDMP N#C[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246831689 988526400 /nfs/dbraw/zinc/52/64/00/988526400.db2.gz KCOCNIIILHYXEF-HABKJSAYSA-N 2 1 233.359 1.895 20 30 BDEDMP C[C@H]1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C[NH2+]1 ZINC001246834193 988535333 /nfs/dbraw/zinc/53/53/33/988535333.db2.gz NGBVTGZCDQNPEX-QSLWVIQJSA-N 2 1 233.359 1.893 20 30 BDEDMP C[C@H]1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C[NH2+]1 ZINC001246834193 988535340 /nfs/dbraw/zinc/53/53/40/988535340.db2.gz NGBVTGZCDQNPEX-QSLWVIQJSA-N 2 1 233.359 1.893 20 30 BDEDMP C#CC1CC[NH+]([C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246883937 988649072 /nfs/dbraw/zinc/64/90/72/988649072.db2.gz YQXKHHIZYPOZEL-YPMHNXCESA-N 2 1 206.333 1.472 20 30 BDEDMP C=CCO[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC001326075244 989365807 /nfs/dbraw/zinc/36/58/07/989365807.db2.gz KQHLLOPAXGQQCN-QWHCGFSZSA-N 2 1 226.364 1.637 20 30 BDEDMP C=CCO[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC001326075244 989365809 /nfs/dbraw/zinc/36/58/09/989365809.db2.gz KQHLLOPAXGQQCN-QWHCGFSZSA-N 2 1 226.364 1.637 20 30 BDEDMP C=CCO[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC001326502833 989587633 /nfs/dbraw/zinc/58/76/33/989587633.db2.gz NTSIUNGDCWFBTH-QWHCGFSZSA-N 2 1 224.348 1.263 20 30 BDEDMP CC[NH+]1CCC(C[N@@H+](C)[C@H](C)CC#N)CC1 ZINC001308590656 991054978 /nfs/dbraw/zinc/05/49/78/991054978.db2.gz ZPLWNXCMNLOALB-GFCCVEGCSA-N 2 1 223.364 1.952 20 30 BDEDMP C#CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC001574673926 992889187 /nfs/dbraw/zinc/88/91/87/992889187.db2.gz RIYLCSYKQNTXLC-UHFFFAOYSA-N 2 1 240.350 1.930 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC001574961119 992950053 /nfs/dbraw/zinc/95/00/53/992950053.db2.gz XWGHZUQKEPEEJR-LOWDOPEQSA-N 2 1 224.348 1.450 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccn2)CC[C@@H]1C[NH3+] ZINC001576807802 993427579 /nfs/dbraw/zinc/42/75/79/993427579.db2.gz VSCNKQGCWFPJAM-DGCLKSJQSA-N 2 1 244.342 1.370 20 30 BDEDMP C[C@H](CCC#N)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000602477219 349564540 /nfs/dbraw/zinc/56/45/40/349564540.db2.gz ZHSJRWUQKUNDQW-CHWSQXEVSA-N 2 1 223.364 1.810 20 30 BDEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000602558462 349598546 /nfs/dbraw/zinc/59/85/46/349598546.db2.gz AUDHLPUVKIJTQP-FRRDWIJNSA-N 2 1 223.364 1.999 20 30 BDEDMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000309955150 343108691 /nfs/dbraw/zinc/10/86/91/343108691.db2.gz HWLCRCVJULLKIU-UPJWGTAASA-N 2 1 221.348 1.610 20 30 BDEDMP N#C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000335751150 136352374 /nfs/dbraw/zinc/35/23/74/136352374.db2.gz GGWCZTQISIXYDZ-AAEUAGOBSA-N 2 1 233.359 1.895 20 30 BDEDMP C=CC[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000625704647 344049711 /nfs/dbraw/zinc/04/97/11/344049711.db2.gz ZFWZVPXBACERIF-QWHCGFSZSA-N 2 1 226.364 1.197 20 30 BDEDMP C=CC[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000625704647 344049713 /nfs/dbraw/zinc/04/97/13/344049713.db2.gz ZFWZVPXBACERIF-QWHCGFSZSA-N 2 1 226.364 1.197 20 30 BDEDMP C=CC[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000625704647 344049714 /nfs/dbraw/zinc/04/97/14/344049714.db2.gz ZFWZVPXBACERIF-QWHCGFSZSA-N 2 1 226.364 1.197 20 30 BDEDMP CC#CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371292071 345585442 /nfs/dbraw/zinc/58/54/42/345585442.db2.gz AVLJJVAEDFPYFB-MGPQQGTHSA-N 2 1 236.359 1.193 20 30 BDEDMP CC#CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371292071 345585444 /nfs/dbraw/zinc/58/54/44/345585444.db2.gz AVLJJVAEDFPYFB-MGPQQGTHSA-N 2 1 236.359 1.193 20 30 BDEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1 ZINC000591578050 347677719 /nfs/dbraw/zinc/67/77/19/347677719.db2.gz PLMUFMGGDBRJMG-JHJVBQTASA-N 2 1 221.348 1.800 20 30 BDEDMP CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(C#N)cc1 ZINC000591580696 347677999 /nfs/dbraw/zinc/67/79/99/347677999.db2.gz MQTHEPCMOJWASA-MFKMUULPSA-N 2 1 217.316 1.946 20 30 BDEDMP N#Cc1cnccc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000593730114 347937701 /nfs/dbraw/zinc/93/77/01/347937701.db2.gz KMQHNIWIFAQLQP-UHFFFAOYSA-N 2 1 244.342 1.514 20 30 BDEDMP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000336654284 191123980 /nfs/dbraw/zinc/12/39/80/191123980.db2.gz GNZJEQPRVOCEPG-JHJVBQTASA-N 2 1 223.364 1.997 20 30 BDEDMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336654284 191123984 /nfs/dbraw/zinc/12/39/84/191123984.db2.gz GNZJEQPRVOCEPG-JHJVBQTASA-N 2 1 223.364 1.997 20 30 BDEDMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336654284 191123987 /nfs/dbraw/zinc/12/39/87/191123987.db2.gz GNZJEQPRVOCEPG-JHJVBQTASA-N 2 1 223.364 1.997 20 30 BDEDMP C#CCC[N@H+]1CCC2(C1)CC[NH+](CCC#C)CC2 ZINC000369949262 352156778 /nfs/dbraw/zinc/15/67/78/352156778.db2.gz VKMBTZMKGQGREE-UHFFFAOYSA-N 2 1 244.382 1.821 20 30 BDEDMP C#CC[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000191517645 353485996 /nfs/dbraw/zinc/48/59/96/353485996.db2.gz JDHIAALCTPRFMD-UHFFFAOYSA-N 2 1 219.332 1.791 20 30 BDEDMP C#CC[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000191517645 353486000 /nfs/dbraw/zinc/48/60/00/353486000.db2.gz JDHIAALCTPRFMD-UHFFFAOYSA-N 2 1 219.332 1.791 20 30 BDEDMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000335840748 355584593 /nfs/dbraw/zinc/58/45/93/355584593.db2.gz YDHGMCJSDAQFOM-KBPBESRZSA-N 2 1 233.359 1.920 20 30 BDEDMP C=CCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000351905283 356179019 /nfs/dbraw/zinc/17/90/19/356179019.db2.gz TZMRUIJHZHYNCN-CYBMUJFWSA-N 2 1 208.349 1.980 20 30 BDEDMP CC#CC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756964 356664194 /nfs/dbraw/zinc/66/41/94/356664194.db2.gz FFEJOIYZXLQCJR-UHFFFAOYSA-N 2 1 206.333 1.427 20 30 BDEDMP C=CC[N@@H+](CCC[NH+]1CCCCC1)CCOC ZINC000191132412 357753107 /nfs/dbraw/zinc/75/31/07/357753107.db2.gz TWQPXYLUOGRPNF-UHFFFAOYSA-N 2 1 240.391 1.997 20 30 BDEDMP C=CC[N@H+](CCC[NH+]1CCCCC1)CCOC ZINC000191132412 357753108 /nfs/dbraw/zinc/75/31/08/357753108.db2.gz TWQPXYLUOGRPNF-UHFFFAOYSA-N 2 1 240.391 1.997 20 30 BDEDMP C#CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192909980 357852837 /nfs/dbraw/zinc/85/28/37/357852837.db2.gz OKTJXMMXYSKZBW-YHWZYXNKSA-N 2 1 206.333 1.615 20 30 BDEDMP N#Cc1cccc(C[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000584411549 357914735 /nfs/dbraw/zinc/91/47/35/357914735.db2.gz IHHIZXMERJZIJD-CYBMUJFWSA-N 2 1 215.300 1.385 20 30 BDEDMP C=CCOCC[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640015498 358068119 /nfs/dbraw/zinc/06/81/19/358068119.db2.gz KULCZFNYPBBYMR-UHFFFAOYSA-N 2 1 240.391 1.995 20 30 BDEDMP C=C(C)[C@@H](CO)[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640017245 358080725 /nfs/dbraw/zinc/08/07/25/358080725.db2.gz JDMSKVVISVGFSW-CYBMUJFWSA-N 2 1 240.391 1.730 20 30 BDEDMP C=C(C)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129268207 358585278 /nfs/dbraw/zinc/58/52/78/358585278.db2.gz JRZBWAZUOKEVFO-CYBMUJFWSA-N 2 1 224.348 1.217 20 30 BDEDMP C=CCCOCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000090883546 360092570 /nfs/dbraw/zinc/09/25/70/360092570.db2.gz YQINYOKNBUHTML-OLZOCXBDSA-N 2 1 226.364 1.509 20 30 BDEDMP C=CCC[C@H](CC)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154346386 201275082 /nfs/dbraw/zinc/27/50/82/201275082.db2.gz IIXCPFQTEGCBKC-RYUDHWBXSA-N 2 1 214.353 1.243 20 30 BDEDMP C#CCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367592550 367087416 /nfs/dbraw/zinc/08/74/16/367087416.db2.gz DBVLTAPJDFAWGN-BFHYXJOUSA-N 2 1 220.360 1.862 20 30 BDEDMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(C#N)cs1 ZINC000401887441 369373326 /nfs/dbraw/zinc/37/33/26/369373326.db2.gz UYWSFZHKCHYNIR-UHFFFAOYSA-N 2 1 246.339 1.686 20 30 BDEDMP N#Cc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])o1 ZINC000600767568 369562499 /nfs/dbraw/zinc/56/24/99/369562499.db2.gz BKFVLJQSFNTERD-NSHDSACASA-N 2 1 233.315 1.855 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])o1 ZINC000600767568 369562502 /nfs/dbraw/zinc/56/25/02/369562502.db2.gz BKFVLJQSFNTERD-NSHDSACASA-N 2 1 233.315 1.855 20 30 BDEDMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(C#N)o1 ZINC000600769625 369562523 /nfs/dbraw/zinc/56/25/23/369562523.db2.gz PVQUTBZVDPAALG-UWVGGRQHSA-N 2 1 219.288 1.320 20 30 BDEDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C#N)o1 ZINC000600769625 369562524 /nfs/dbraw/zinc/56/25/24/369562524.db2.gz PVQUTBZVDPAALG-UWVGGRQHSA-N 2 1 219.288 1.320 20 30 BDEDMP C[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CCC[NH2+]C1 ZINC000600769594 369563836 /nfs/dbraw/zinc/56/38/36/369563836.db2.gz PFALYPGDDSFPDE-MNOVXSKESA-N 2 1 233.315 1.629 20 30 BDEDMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000600768456 369563931 /nfs/dbraw/zinc/56/39/31/369563931.db2.gz GYIQEBPGFIMUSA-NXEZZACHSA-N 2 1 219.288 1.320 20 30 BDEDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000600768456 369563933 /nfs/dbraw/zinc/56/39/33/369563933.db2.gz GYIQEBPGFIMUSA-NXEZZACHSA-N 2 1 219.288 1.320 20 30 BDEDMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000600768130 369564699 /nfs/dbraw/zinc/56/46/99/369564699.db2.gz CNPDENQHHOBTJU-BDAKNGLRSA-N 2 1 207.277 1.367 20 30 BDEDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000252889750 370138265 /nfs/dbraw/zinc/13/82/65/370138265.db2.gz FJPSUPASGBRIHC-SWLSCSKDSA-N 2 1 243.354 1.988 20 30 BDEDMP C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1C[NH3+] ZINC000253202324 370164552 /nfs/dbraw/zinc/16/45/52/370164552.db2.gz YRVKGAMPTRUOKN-IUODEOHRSA-N 2 1 243.354 1.975 20 30 BDEDMP C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1C[NH3+] ZINC000253202324 370164555 /nfs/dbraw/zinc/16/45/55/370164555.db2.gz YRVKGAMPTRUOKN-IUODEOHRSA-N 2 1 243.354 1.975 20 30 BDEDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(C#N)cc1 ZINC000216029169 371683695 /nfs/dbraw/zinc/68/36/95/371683695.db2.gz NSRQIXAMAOIUNG-BXUZGUMPSA-N 2 1 229.327 1.727 20 30 BDEDMP C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CCCC[NH2+]1 ZINC000424379917 206040155 /nfs/dbraw/zinc/04/01/55/206040155.db2.gz WDAOTIPRSWVBET-RVMXOQNASA-N 2 1 221.348 1.799 20 30 BDEDMP C=C(C)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150808505 384514959 /nfs/dbraw/zinc/51/49/59/384514959.db2.gz IIIMSZOIRAGZDV-CYBMUJFWSA-N 2 1 208.349 1.980 20 30 BDEDMP C[C@@H]([NH2+][C@H](CN)C1CC1)c1cccc(C#N)c1 ZINC000423272464 384528969 /nfs/dbraw/zinc/52/89/69/384528969.db2.gz IDHLKRFPQXGMRY-QMTHXVAHSA-N 2 1 229.327 1.946 20 30 BDEDMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(C#N)c1 ZINC000423272464 384528974 /nfs/dbraw/zinc/52/89/74/384528974.db2.gz IDHLKRFPQXGMRY-QMTHXVAHSA-N 2 1 229.327 1.946 20 30 BDEDMP CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(C#N)cc1 ZINC000423318624 384538205 /nfs/dbraw/zinc/53/82/05/384538205.db2.gz DCRPPNSAGAODBJ-MFKMUULPSA-N 2 1 217.316 1.946 20 30 BDEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000044535350 384658049 /nfs/dbraw/zinc/65/80/49/384658049.db2.gz SENPBJSJCQJBIK-HNNXBMFYSA-N 2 1 243.354 1.990 20 30 BDEDMP C[C@H](CNC(=[NH2+])Nc1ccccn1)[N@@H+](C)C1CC1 ZINC000170914796 385456284 /nfs/dbraw/zinc/45/62/84/385456284.db2.gz LZMQKZSCTRUHTA-SNVBAGLBSA-N 2 1 247.346 1.291 20 30 BDEDMP C#C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)C ZINC000393790715 385598276 /nfs/dbraw/zinc/59/82/76/385598276.db2.gz YOJNQTACWLVKTD-AWEZNQCLSA-N 2 1 220.360 1.861 20 30 BDEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336679685 385624788 /nfs/dbraw/zinc/62/47/88/385624788.db2.gz AMVRDNPKANCJDV-YNEHKIRRSA-N 2 1 226.364 1.243 20 30 BDEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336679685 385624792 /nfs/dbraw/zinc/62/47/92/385624792.db2.gz AMVRDNPKANCJDV-YNEHKIRRSA-N 2 1 226.364 1.243 20 30 BDEDMP C=CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334453978 386102014 /nfs/dbraw/zinc/10/20/14/386102014.db2.gz MOBWLXXSDZLVBS-ZIAGYGMSSA-N 2 1 237.391 1.130 20 30 BDEDMP C=CCCOCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000181767597 386382003 /nfs/dbraw/zinc/38/20/03/386382003.db2.gz GLUDVESBFDFCAT-STQMWFEESA-N 2 1 226.364 1.651 20 30 BDEDMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336777527 386423821 /nfs/dbraw/zinc/42/38/21/386423821.db2.gz ITCYAWAASSBRCM-FRRDWIJNSA-N 2 1 223.364 1.999 20 30 BDEDMP C=C(C)[C@@H](CO)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000645187120 386849990 /nfs/dbraw/zinc/84/99/90/386849990.db2.gz XVKBGQKZFIJPNI-KGLIPLIRSA-N 2 1 238.375 1.341 20 30 BDEDMP C=C(C)[C@@H](CO)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000645187120 386849994 /nfs/dbraw/zinc/84/99/94/386849994.db2.gz XVKBGQKZFIJPNI-KGLIPLIRSA-N 2 1 238.375 1.341 20 30 BDEDMP C=C(C)[C@@H](CO)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000645187120 386849997 /nfs/dbraw/zinc/84/99/97/386849997.db2.gz XVKBGQKZFIJPNI-KGLIPLIRSA-N 2 1 238.375 1.341 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)C(C)C ZINC000392884398 387295110 /nfs/dbraw/zinc/29/51/10/387295110.db2.gz SYPNLPMOPSJOGN-ZDUSSCGKSA-N 2 1 210.365 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)C(C)C ZINC000392884398 387295115 /nfs/dbraw/zinc/29/51/15/387295115.db2.gz SYPNLPMOPSJOGN-ZDUSSCGKSA-N 2 1 210.365 1.966 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H](C)O)CC1 ZINC000572274794 387297757 /nfs/dbraw/zinc/29/77/57/387297757.db2.gz NXOBZWLJUBMPCC-RYUDHWBXSA-N 2 1 226.364 1.386 20 30 BDEDMP C=C(C)CN1CCC([NH2+][C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000422983489 387793636 /nfs/dbraw/zinc/79/36/36/387793636.db2.gz ZRPVBJJKPPROGP-STQMWFEESA-N 2 1 239.407 1.742 20 30 BDEDMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCC#N ZINC000423026899 387843594 /nfs/dbraw/zinc/84/35/94/387843594.db2.gz CNYDWQJTBAYUMB-GXTWGEPZSA-N 2 1 231.343 1.838 20 30 BDEDMP C=CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423080772 387876437 /nfs/dbraw/zinc/87/64/37/387876437.db2.gz ALNYQKOHPDCIAH-BFHYXJOUSA-N 2 1 238.375 1.699 20 30 BDEDMP C[N@H+](Cc1cccc(C#N)c1)C1CC[NH2+]CC1 ZINC000036300887 387904776 /nfs/dbraw/zinc/90/47/76/387904776.db2.gz WFOHVFOWJDBCCC-UHFFFAOYSA-N 2 1 229.327 1.742 20 30 BDEDMP C[N@@H+](Cc1cccc(C#N)c1)C1CC[NH2+]CC1 ZINC000036300887 387904779 /nfs/dbraw/zinc/90/47/79/387904779.db2.gz WFOHVFOWJDBCCC-UHFFFAOYSA-N 2 1 229.327 1.742 20 30 BDEDMP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423153648 387932014 /nfs/dbraw/zinc/93/20/14/387932014.db2.gz NSSXQUQJWKZVOS-MJBXVCDLSA-N 2 1 238.375 1.699 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423156125 387933770 /nfs/dbraw/zinc/93/37/70/387933770.db2.gz RTFQZXFQFBBZKM-KKOKHZNYSA-N 2 1 210.321 1.060 20 30 BDEDMP C=C(CC)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423167473 387952017 /nfs/dbraw/zinc/95/20/17/387952017.db2.gz WSURDGMHTKUZDL-MCIONIFRSA-N 2 1 238.375 1.699 20 30 BDEDMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000423165505 387948249 /nfs/dbraw/zinc/94/82/49/387948249.db2.gz YEQAFIYWLJYHGR-ZDEQEGDKSA-N 2 1 221.348 1.656 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000451611831 388284378 /nfs/dbraw/zinc/28/43/78/388284378.db2.gz XXOJVSBIVLEVHH-XQQFMLRXSA-N 2 1 224.348 1.404 20 30 BDEDMP C#CC(C)(C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000491638310 388307393 /nfs/dbraw/zinc/30/73/93/388307393.db2.gz NMIYGWORFJNYME-UHFFFAOYSA-N 2 1 219.332 1.696 20 30 BDEDMP C#CC(C)(C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000491638310 388307394 /nfs/dbraw/zinc/30/73/94/388307394.db2.gz NMIYGWORFJNYME-UHFFFAOYSA-N 2 1 219.332 1.696 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(C)C ZINC000328297167 388593476 /nfs/dbraw/zinc/59/34/76/388593476.db2.gz TTXQROFNEOFKEY-CYBMUJFWSA-N 2 1 210.365 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(C)C ZINC000328297167 388593479 /nfs/dbraw/zinc/59/34/79/388593479.db2.gz TTXQROFNEOFKEY-CYBMUJFWSA-N 2 1 210.365 1.966 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000328155272 388558016 /nfs/dbraw/zinc/55/80/16/388558016.db2.gz GJWCYRUHFWNJIM-OLZOCXBDSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000328155272 388558019 /nfs/dbraw/zinc/55/80/19/388558019.db2.gz GJWCYRUHFWNJIM-OLZOCXBDSA-N 2 1 224.348 1.099 20 30 BDEDMP C=CCCOCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000222449314 388635139 /nfs/dbraw/zinc/63/51/39/388635139.db2.gz JGWITKRSVFMPOF-BFHYXJOUSA-N 2 1 240.391 1.897 20 30 BDEDMP N#Cc1ccc(OCC[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422987152 388687310 /nfs/dbraw/zinc/68/73/10/388687310.db2.gz FMJABCDIVUMKGV-KBPBESRZSA-N 2 1 245.326 1.406 20 30 BDEDMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000423473716 388692307 /nfs/dbraw/zinc/69/23/07/388692307.db2.gz QUROEWFNPDEPSV-GWCFXTLKSA-N 2 1 217.316 1.946 20 30 BDEDMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000423482945 388692368 /nfs/dbraw/zinc/69/23/68/388692368.db2.gz XMQXHPKJTKCRDN-GXTWGEPZSA-N 2 1 229.327 1.872 20 30 BDEDMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(C#N)c1 ZINC000423442683 388693133 /nfs/dbraw/zinc/69/31/33/388693133.db2.gz VFVOOZOCASWTHI-OLRMPSLUSA-N 2 1 227.311 1.427 20 30 BDEDMP C[NH+](C)CC1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000352791377 134152856 /nfs/dbraw/zinc/15/28/56/134152856.db2.gz ZHFOTTBHHQZOFC-AWEZNQCLSA-N 2 1 248.374 1.704 20 30 BDEDMP C=CCC[C@@H](CCC)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358252012 134187382 /nfs/dbraw/zinc/18/73/82/134187382.db2.gz NHVLBEGSSDSUKK-ZIAGYGMSSA-N 2 1 240.391 1.778 20 30 BDEDMP C=CCC[C@@H](CCC)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358252012 134187383 /nfs/dbraw/zinc/18/73/83/134187383.db2.gz NHVLBEGSSDSUKK-ZIAGYGMSSA-N 2 1 240.391 1.778 20 30 BDEDMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000371185440 134227400 /nfs/dbraw/zinc/22/74/00/134227400.db2.gz SCDGCHSWDJHZQB-ZFWWWQNUSA-N 2 1 232.371 1.958 20 30 BDEDMP C#CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000371185440 134227401 /nfs/dbraw/zinc/22/74/01/134227401.db2.gz SCDGCHSWDJHZQB-ZFWWWQNUSA-N 2 1 232.371 1.958 20 30 BDEDMP C#CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000371185440 134227402 /nfs/dbraw/zinc/22/74/02/134227402.db2.gz SCDGCHSWDJHZQB-ZFWWWQNUSA-N 2 1 232.371 1.958 20 30 BDEDMP C=C(C)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371296067 134228394 /nfs/dbraw/zinc/22/83/94/134228394.db2.gz WSBHFBKCXDHXCH-MGPQQGTHSA-N 2 1 238.375 1.746 20 30 BDEDMP C=CCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000378245986 134245563 /nfs/dbraw/zinc/24/55/63/134245563.db2.gz FDZVZKJVDVUTGX-MELADBBJSA-N 2 1 238.375 1.746 20 30 BDEDMP C=CCOCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000339038518 135053074 /nfs/dbraw/zinc/05/30/74/135053074.db2.gz XHRDJBDMAUKWPP-ZIAGYGMSSA-N 2 1 240.391 1.851 20 30 BDEDMP C=CCOCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000339038518 135053077 /nfs/dbraw/zinc/05/30/77/135053077.db2.gz XHRDJBDMAUKWPP-ZIAGYGMSSA-N 2 1 240.391 1.851 20 30 BDEDMP C[NH+](C)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000260508444 135105919 /nfs/dbraw/zinc/10/59/19/135105919.db2.gz WCBOAACNYLPILS-DGCLKSJQSA-N 2 1 221.348 1.705 20 30 BDEDMP CC[N@@H+](CCC#N)CCCn1cc[nH+]c1C ZINC000270710893 135173638 /nfs/dbraw/zinc/17/36/38/135173638.db2.gz ZNFOFNGEZBWZTA-UHFFFAOYSA-N 2 1 220.320 1.817 20 30 BDEDMP CC[N@H+](CCC#N)CCCn1cc[nH+]c1C ZINC000270710893 135173639 /nfs/dbraw/zinc/17/36/39/135173639.db2.gz ZNFOFNGEZBWZTA-UHFFFAOYSA-N 2 1 220.320 1.817 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261555684 135195087 /nfs/dbraw/zinc/19/50/87/135195087.db2.gz BQNHCWDGNGSEDB-HUUCEWRRSA-N 2 1 241.338 1.600 20 30 BDEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261555684 135195089 /nfs/dbraw/zinc/19/50/89/135195089.db2.gz BQNHCWDGNGSEDB-HUUCEWRRSA-N 2 1 241.338 1.600 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261584007 135224852 /nfs/dbraw/zinc/22/48/52/135224852.db2.gz RZUGLPBUXBNJDG-CABCVRRESA-N 2 1 241.338 1.742 20 30 BDEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261584007 135224853 /nfs/dbraw/zinc/22/48/53/135224853.db2.gz RZUGLPBUXBNJDG-CABCVRRESA-N 2 1 241.338 1.742 20 30 BDEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000261986806 135269830 /nfs/dbraw/zinc/26/98/30/135269830.db2.gz KHPWJRVKIZRWEG-NSHDSACASA-N 2 1 240.395 1.421 20 30 BDEDMP CC(C)[N@H+]1CCC[C@@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000262676683 135312669 /nfs/dbraw/zinc/31/26/69/135312669.db2.gz UFUVNFJDMQQLHO-NEPJUHHUSA-N 2 1 238.379 1.044 20 30 BDEDMP C[C@H]1C[NH+]=C(NCC[N@H+]2CCCC(C)(C)C2)N1 ZINC000262686228 135313854 /nfs/dbraw/zinc/31/38/54/135313854.db2.gz YMDRDTSQGWXVSV-NSHDSACASA-N 2 1 238.379 1.046 20 30 BDEDMP CN(C)C(=[NH+]CC[C@@H]1CCC[N@@H+](C)C1)N(C)C ZINC000263145381 135335606 /nfs/dbraw/zinc/33/56/06/135335606.db2.gz OTULLSMKKNRGCS-LBPRGKRZSA-N 2 1 240.395 1.198 20 30 BDEDMP C=CCOCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000347965568 136017863 /nfs/dbraw/zinc/01/78/63/136017863.db2.gz DMOWPGRCHBAFMV-UHFFFAOYSA-N 2 1 226.364 1.605 20 30 BDEDMP C=CCOCCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000348171571 136042809 /nfs/dbraw/zinc/04/28/09/136042809.db2.gz VOUJQLNUGQJFBH-AWEZNQCLSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CCC[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347927 411208967 /nfs/dbraw/zinc/20/89/67/411208967.db2.gz PISYYQFUZWHGRA-BFHYXJOUSA-N 2 1 238.375 1.781 20 30 BDEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347930 411209346 /nfs/dbraw/zinc/20/93/46/411209346.db2.gz PISYYQFUZWHGRA-MJBXVCDLSA-N 2 1 238.375 1.781 20 30 BDEDMP C=CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652360127 411218139 /nfs/dbraw/zinc/21/81/39/411218139.db2.gz BDEXBCOJNDCVHY-UPJWGTAASA-N 2 1 224.348 1.533 20 30 BDEDMP COCC#CCN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000677820252 487519000 /nfs/dbraw/zinc/51/90/00/487519000.db2.gz KOVMNAUJPUIAKR-QWHCGFSZSA-N 2 1 224.348 1.051 20 30 BDEDMP COCC#CC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000677820252 487519004 /nfs/dbraw/zinc/51/90/04/487519004.db2.gz KOVMNAUJPUIAKR-QWHCGFSZSA-N 2 1 224.348 1.051 20 30 BDEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000677820252 487519011 /nfs/dbraw/zinc/51/90/11/487519011.db2.gz KOVMNAUJPUIAKR-QWHCGFSZSA-N 2 1 224.348 1.051 20 30 BDEDMP COCC#CC[N@H+](C)CCCn1cc[nH+]c1C ZINC000678080299 488193168 /nfs/dbraw/zinc/19/31/68/488193168.db2.gz XKWNILYULCBONE-UHFFFAOYSA-N 2 1 235.331 1.163 20 30 BDEDMP COCC#CC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000678080299 488193173 /nfs/dbraw/zinc/19/31/73/488193173.db2.gz XKWNILYULCBONE-UHFFFAOYSA-N 2 1 235.331 1.163 20 30 BDEDMP CC#CC[N@H+]1CCC2(C1)CC[NH+](CC#CC)CC2 ZINC000368764335 534708038 /nfs/dbraw/zinc/70/80/38/534708038.db2.gz ZJBYHLBXKANBNE-UHFFFAOYSA-N 2 1 244.382 1.821 20 30 BDEDMP C=CCOCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000348047176 534873951 /nfs/dbraw/zinc/87/39/51/534873951.db2.gz FMUNPOVAGRXCES-ZIAGYGMSSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CCOCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000348047176 534873953 /nfs/dbraw/zinc/87/39/53/534873953.db2.gz FMUNPOVAGRXCES-ZIAGYGMSSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CCOCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000348047176 534873954 /nfs/dbraw/zinc/87/39/54/534873954.db2.gz FMUNPOVAGRXCES-ZIAGYGMSSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CCOCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000348047176 534873956 /nfs/dbraw/zinc/87/39/56/534873956.db2.gz FMUNPOVAGRXCES-ZIAGYGMSSA-N 2 1 240.391 1.994 20 30 BDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[C@H]1C ZINC000261992377 535549921 /nfs/dbraw/zinc/54/99/21/535549921.db2.gz MNOIFRNELUKORE-IJLUTSLNSA-N 2 1 238.379 1.031 20 30 BDEDMP CN1CCC[NH+]=C1NCC[N@H+]1CCCC1(C)C ZINC000263139093 536361439 /nfs/dbraw/zinc/36/14/39/536361439.db2.gz NZDJXINXJVKIBJ-UHFFFAOYSA-N 2 1 238.379 1.142 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000894863745 583536066 /nfs/dbraw/zinc/53/60/66/583536066.db2.gz PYUSHVFQGAKFIK-JTQLQIEISA-N 2 1 249.185 1.725 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000894863745 583536069 /nfs/dbraw/zinc/53/60/69/583536069.db2.gz PYUSHVFQGAKFIK-JTQLQIEISA-N 2 1 249.185 1.725 20 30 BDEDMP N#CC1CCC(C[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000903423025 584764412 /nfs/dbraw/zinc/76/44/12/584764412.db2.gz NJCJPJSKJBVBSX-BPCQOVAHSA-N 2 1 221.348 1.597 20 30 BDEDMP C[C@@]1(C#N)CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903464574 584771399 /nfs/dbraw/zinc/77/13/99/584771399.db2.gz RZDXDYVXCRSNJW-WOPDTQHZSA-N 2 1 207.321 1.349 20 30 BDEDMP C=CCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903510112 584781151 /nfs/dbraw/zinc/78/11/51/584781151.db2.gz OVBHDBBUHXZVCZ-GASCZTMLSA-N 2 1 249.402 1.463 20 30 BDEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510112 584781152 /nfs/dbraw/zinc/78/11/52/584781152.db2.gz OVBHDBBUHXZVCZ-GASCZTMLSA-N 2 1 249.402 1.463 20 30 BDEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510112 584781153 /nfs/dbraw/zinc/78/11/53/584781153.db2.gz OVBHDBBUHXZVCZ-GASCZTMLSA-N 2 1 249.402 1.463 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903806627 584802806 /nfs/dbraw/zinc/80/28/06/584802806.db2.gz YSFZBZXXEQOCMD-HZSPNIEDSA-N 2 1 238.375 1.517 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903806627 584802807 /nfs/dbraw/zinc/80/28/07/584802807.db2.gz YSFZBZXXEQOCMD-HZSPNIEDSA-N 2 1 238.375 1.517 20 30 BDEDMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000903826487 584805048 /nfs/dbraw/zinc/80/50/48/584805048.db2.gz KHTPQMUBADDLEY-PWSUYJOCSA-N 2 1 249.383 1.907 20 30 BDEDMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000903826487 584805049 /nfs/dbraw/zinc/80/50/49/584805049.db2.gz KHTPQMUBADDLEY-PWSUYJOCSA-N 2 1 249.383 1.907 20 30 BDEDMP C#CCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000760842259 585399259 /nfs/dbraw/zinc/39/92/59/585399259.db2.gz FCEIVEHKSNZJBD-AWEZNQCLSA-N 2 1 220.360 1.673 20 30 BDEDMP C#CCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000760842259 585399260 /nfs/dbraw/zinc/39/92/60/585399260.db2.gz FCEIVEHKSNZJBD-AWEZNQCLSA-N 2 1 220.360 1.673 20 30 BDEDMP C#CCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000760842259 585399261 /nfs/dbraw/zinc/39/92/61/585399261.db2.gz FCEIVEHKSNZJBD-AWEZNQCLSA-N 2 1 220.360 1.673 20 30 BDEDMP C#C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)[C@H]1CCCO1 ZINC000775792695 585685385 /nfs/dbraw/zinc/68/53/85/585685385.db2.gz IIXIZILYPPCWDK-HZSPNIEDSA-N 2 1 236.359 1.241 20 30 BDEDMP C#C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)[C@H]1CCCO1 ZINC000775792695 585685386 /nfs/dbraw/zinc/68/53/86/585685386.db2.gz IIXIZILYPPCWDK-HZSPNIEDSA-N 2 1 236.359 1.241 20 30 BDEDMP C[NH+]1CCC(C[N@@H+](CCC#N)CC2CC2)CC1 ZINC000788482676 585925238 /nfs/dbraw/zinc/92/52/38/585925238.db2.gz QDTXFCDUVWAXCW-UHFFFAOYSA-N 2 1 235.375 1.954 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CSCCF ZINC000850471170 588549049 /nfs/dbraw/zinc/54/90/49/588549049.db2.gz MYFDIMLCSVSDKH-LBPRGKRZSA-N 2 1 246.395 1.622 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CSCCF ZINC000850471170 588549050 /nfs/dbraw/zinc/54/90/50/588549050.db2.gz MYFDIMLCSVSDKH-LBPRGKRZSA-N 2 1 246.395 1.622 20 30 BDEDMP C#C[C@H](CC)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000862362792 589201949 /nfs/dbraw/zinc/20/19/49/589201949.db2.gz GCIPOWHENWAWPM-NEPJUHHUSA-N 2 1 208.349 1.861 20 30 BDEDMP C#C[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000862362792 589201951 /nfs/dbraw/zinc/20/19/51/589201951.db2.gz GCIPOWHENWAWPM-NEPJUHHUSA-N 2 1 208.349 1.861 20 30 BDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC(C)(C)C ZINC000203020430 589208687 /nfs/dbraw/zinc/20/86/87/589208687.db2.gz UCESIQFEVFEUHP-JTQLQIEISA-N 2 1 226.368 1.174 20 30 BDEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000203020542 589208965 /nfs/dbraw/zinc/20/89/65/589208965.db2.gz OBCCQYUFYGISDS-JTQLQIEISA-N 2 1 226.368 1.031 20 30 BDEDMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(C)(C)C#N)CC[C@H]21 ZINC000879577451 590812442 /nfs/dbraw/zinc/81/24/42/590812442.db2.gz IULWCRQJLHICHZ-CHWSQXEVSA-N 2 1 235.375 1.952 20 30 BDEDMP C[N@H+]1CC[C@@H]2C[NH+](CCC(C)(C)C#N)CC[C@H]21 ZINC000879577451 590812445 /nfs/dbraw/zinc/81/24/45/590812445.db2.gz IULWCRQJLHICHZ-CHWSQXEVSA-N 2 1 235.375 1.952 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@H+](CCC(C)(C)C#N)CC[C@H]21 ZINC000879577451 590812448 /nfs/dbraw/zinc/81/24/48/590812448.db2.gz IULWCRQJLHICHZ-CHWSQXEVSA-N 2 1 235.375 1.952 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(C)(C)C#N)CC[C@H]21 ZINC000879577451 590812451 /nfs/dbraw/zinc/81/24/51/590812451.db2.gz IULWCRQJLHICHZ-CHWSQXEVSA-N 2 1 235.375 1.952 20 30 BDEDMP CCC#C[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879577282 590813252 /nfs/dbraw/zinc/81/32/52/590813252.db2.gz HZTIXUZCBQKWKQ-BFHYXJOUSA-N 2 1 220.360 1.814 20 30 BDEDMP CCC#C[C@H](C)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879577282 590813253 /nfs/dbraw/zinc/81/32/53/590813253.db2.gz HZTIXUZCBQKWKQ-BFHYXJOUSA-N 2 1 220.360 1.814 20 30 BDEDMP CCC#C[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879577282 590813258 /nfs/dbraw/zinc/81/32/58/590813258.db2.gz HZTIXUZCBQKWKQ-BFHYXJOUSA-N 2 1 220.360 1.814 20 30 BDEDMP CCC#C[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879577282 590813261 /nfs/dbraw/zinc/81/32/61/590813261.db2.gz HZTIXUZCBQKWKQ-BFHYXJOUSA-N 2 1 220.360 1.814 20 30 BDEDMP C[N@@H+]1CC[C@H]2C[NH+](CC3(CC#N)CC3)CC[C@H]21 ZINC000879578043 590815327 /nfs/dbraw/zinc/81/53/27/590815327.db2.gz AGXNASIUJAUYHS-QWHCGFSZSA-N 2 1 233.359 1.706 20 30 BDEDMP C[N@H+]1CC[C@H]2C[NH+](CC3(CC#N)CC3)CC[C@H]21 ZINC000879578043 590815330 /nfs/dbraw/zinc/81/53/30/590815330.db2.gz AGXNASIUJAUYHS-QWHCGFSZSA-N 2 1 233.359 1.706 20 30 BDEDMP C[NH+]1CC[C@H]2C[N@H+](CC3(CC#N)CC3)CC[C@H]21 ZINC000879578043 590815332 /nfs/dbraw/zinc/81/53/32/590815332.db2.gz AGXNASIUJAUYHS-QWHCGFSZSA-N 2 1 233.359 1.706 20 30 BDEDMP C[NH+]1CC[C@H]2C[N@@H+](CC3(CC#N)CC3)CC[C@H]21 ZINC000879578043 590815336 /nfs/dbraw/zinc/81/53/36/590815336.db2.gz AGXNASIUJAUYHS-QWHCGFSZSA-N 2 1 233.359 1.706 20 30 BDEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000130575845 591483899 /nfs/dbraw/zinc/48/38/99/591483899.db2.gz NYFLZWFCBXMBJU-BFHYXJOUSA-N 2 1 238.375 1.794 20 30 BDEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000130575845 591483900 /nfs/dbraw/zinc/48/39/00/591483900.db2.gz NYFLZWFCBXMBJU-BFHYXJOUSA-N 2 1 238.375 1.794 20 30 BDEDMP C#CCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132453 592448626 /nfs/dbraw/zinc/44/86/26/592448626.db2.gz GCFHZKHNUVYZRE-ZDUSSCGKSA-N 2 1 229.327 1.615 20 30 BDEDMP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000253188362 634526324 /nfs/dbraw/zinc/52/63/24/634526324.db2.gz JWQDYIBLNSPCOA-IUODEOHRSA-N 2 1 243.354 1.975 20 30 BDEDMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CC[C@@H](C#N)C3)C[C@]2(C)C1 ZINC000933732531 631494186 /nfs/dbraw/zinc/49/41/86/631494186.db2.gz RAHZRJHKRYFSMI-MQYQWHSLSA-N 2 1 233.359 1.562 20 30 BDEDMP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CC[C@@H](C#N)C3)C[C@]2(C)C1 ZINC000933732531 631494194 /nfs/dbraw/zinc/49/41/94/631494194.db2.gz RAHZRJHKRYFSMI-MQYQWHSLSA-N 2 1 233.359 1.562 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C#N)C3)C[C@]2(C)C1 ZINC000933732531 631494201 /nfs/dbraw/zinc/49/42/01/631494201.db2.gz RAHZRJHKRYFSMI-MQYQWHSLSA-N 2 1 233.359 1.562 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CC[C@@H](C#N)C3)C[C@]2(C)C1 ZINC000933732531 631494204 /nfs/dbraw/zinc/49/42/04/631494204.db2.gz RAHZRJHKRYFSMI-MQYQWHSLSA-N 2 1 233.359 1.562 20 30 BDEDMP C[NH+]1CCC2(CC1)CC[NH+](CCC#N)CC2 ZINC000260990836 632727036 /nfs/dbraw/zinc/72/70/36/632727036.db2.gz ZBXUMOFIZHNMNQ-UHFFFAOYSA-N 2 1 221.348 1.708 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000328027704 633212892 /nfs/dbraw/zinc/21/28/92/633212892.db2.gz UQSPZAKZNRNKMV-CYBMUJFWSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000328027704 633212896 /nfs/dbraw/zinc/21/28/96/633212896.db2.gz UQSPZAKZNRNKMV-CYBMUJFWSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1OC ZINC000328157059 633740021 /nfs/dbraw/zinc/74/00/21/633740021.db2.gz GZQOPQNJBBANDO-STQMWFEESA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1OC ZINC000328157059 633740029 /nfs/dbraw/zinc/74/00/29/633740029.db2.gz GZQOPQNJBBANDO-STQMWFEESA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000328210651 633742465 /nfs/dbraw/zinc/74/24/65/633742465.db2.gz WKOIWBCODONGRS-NWDGAFQWSA-N 2 1 226.389 1.425 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000328210651 633742471 /nfs/dbraw/zinc/74/24/71/633742471.db2.gz WKOIWBCODONGRS-NWDGAFQWSA-N 2 1 226.389 1.425 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H]1CCC=CO1 ZINC000328302625 633750114 /nfs/dbraw/zinc/75/01/14/633750114.db2.gz UXJFCUJFJCWQTO-ZDUSSCGKSA-N 2 1 222.332 1.224 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H]1CCC=CO1 ZINC000328302625 633750122 /nfs/dbraw/zinc/75/01/22/633750122.db2.gz UXJFCUJFJCWQTO-ZDUSSCGKSA-N 2 1 222.332 1.224 20 30 BDEDMP C=C(C)CNC(=[NH2+])NCC[N@H+](CC)CCC ZINC000083052954 635165941 /nfs/dbraw/zinc/16/59/41/635165941.db2.gz HPMNDCQIXQYHQC-UHFFFAOYSA-N 2 1 226.368 1.199 20 30 BDEDMP C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925769122 635191027 /nfs/dbraw/zinc/19/10/27/635191027.db2.gz ATXNJBQBVQJJLQ-VXGBXAGGSA-N 2 1 224.348 1.188 20 30 BDEDMP C=CCOc1ccccc1C[NH2+]C1CC([NH3+])C1 ZINC000906508368 638179526 /nfs/dbraw/zinc/17/95/26/638179526.db2.gz PMNMGZGTZGEUGU-UHFFFAOYSA-N 2 1 232.327 1.831 20 30 BDEDMP C#C[C@H](CC)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000229547411 640966498 /nfs/dbraw/zinc/96/64/98/640966498.db2.gz UCIWJQDOYKMUTE-JHJVBQTASA-N 2 1 206.333 1.615 20 30 BDEDMP C[C@H](CC#N)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063120814 641135496 /nfs/dbraw/zinc/13/54/96/641135496.db2.gz CHQBAGDLEWQSFG-LLVKDONJSA-N 2 1 209.337 1.562 20 30 BDEDMP CN(C(=[NH2+])NCC[N@@H+](C)C1CCCC1)C1CC1 ZINC000305816634 642702401 /nfs/dbraw/zinc/70/24/01/642702401.db2.gz MOQRCAUHYWSOFE-UHFFFAOYSA-N 2 1 238.379 1.270 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000923286882 644321164 /nfs/dbraw/zinc/32/11/64/644321164.db2.gz AXPZPYYXRWIJFF-FRRDWIJNSA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000923286882 644321170 /nfs/dbraw/zinc/32/11/70/644321170.db2.gz AXPZPYYXRWIJFF-FRRDWIJNSA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000923294778 644332619 /nfs/dbraw/zinc/33/26/19/644332619.db2.gz PMGBRJNGMOSBNE-OLZOCXBDSA-N 2 1 228.380 1.619 20 30 BDEDMP CCCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](CCC)C1 ZINC000303895469 644853947 /nfs/dbraw/zinc/85/39/47/644853947.db2.gz TVLYQNSOXOWFTO-LBPRGKRZSA-N 2 1 240.395 1.423 20 30 BDEDMP CCCCCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 ZINC000303895902 644855896 /nfs/dbraw/zinc/85/58/96/644855896.db2.gz PSLOUUKPEGFLTF-GFCCVEGCSA-N 2 1 240.395 1.423 20 30 BDEDMP CCN(CC)C(=[NH2+])NCC[N@@H+](C)C1CCCC1 ZINC000304758617 644931349 /nfs/dbraw/zinc/93/13/49/644931349.db2.gz QDZYDIHTXQAPOU-UHFFFAOYSA-N 2 1 240.395 1.517 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925707753 646432777 /nfs/dbraw/zinc/43/27/77/646432777.db2.gz RKBYTQYPBPSLNB-RVMXOQNASA-N 2 1 224.348 1.308 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]CCC(C)(C)C ZINC000392801570 711151814 /nfs/dbraw/zinc/15/18/14/711151814.db2.gz XAZVXAMXWWREHZ-UHFFFAOYSA-N 2 1 210.365 1.967 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]CCC(C)(C)C ZINC000392801570 711151816 /nfs/dbraw/zinc/15/18/16/711151816.db2.gz XAZVXAMXWWREHZ-UHFFFAOYSA-N 2 1 210.365 1.967 20 30 BDEDMP C=CC[C@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000703705952 712084444 /nfs/dbraw/zinc/08/44/44/712084444.db2.gz NTFSRYVFNFLPEO-AGIUHOORSA-N 2 1 208.349 1.740 20 30 BDEDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC001256963890 971039532 /nfs/dbraw/zinc/03/95/32/971039532.db2.gz RRYJQVJDLMEDSD-RYSNWHEDSA-N 2 1 235.375 1.999 20 30 BDEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC001256963890 971039546 /nfs/dbraw/zinc/03/95/46/971039546.db2.gz RRYJQVJDLMEDSD-RYSNWHEDSA-N 2 1 235.375 1.999 20 30 BDEDMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)C[NH2+]1 ZINC001246206771 972216580 /nfs/dbraw/zinc/21/65/80/972216580.db2.gz SOICCEKLWMCOQG-NDBYEHHHSA-N 2 1 221.348 1.799 20 30 BDEDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CC[NH2+]1 ZINC001246278958 972253358 /nfs/dbraw/zinc/25/33/58/972253358.db2.gz CILCBJIUMSGBBZ-VHSXEESVSA-N 2 1 235.356 1.850 20 30 BDEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CC[NH2+]1 ZINC001246278959 972253871 /nfs/dbraw/zinc/25/38/71/972253871.db2.gz CILCBJIUMSGBBZ-ZJUUUORDSA-N 2 1 235.356 1.850 20 30 BDEDMP C[C@@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)CC[NH2+]1 ZINC001246285571 972258510 /nfs/dbraw/zinc/25/85/10/972258510.db2.gz GVRHEMWNNVKUQA-HIFRSBDPSA-N 2 1 228.339 1.768 20 30 BDEDMP C=CCC[C@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246451481 972319712 /nfs/dbraw/zinc/31/97/12/972319712.db2.gz HJVQNIUPABVKIR-LBPRGKRZSA-N 3 1 213.369 1.259 20 30 BDEDMP C[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1C[NH3+] ZINC000708839929 959861888 /nfs/dbraw/zinc/86/18/88/959861888.db2.gz GCIBVTAQPLSAQP-GXFFZTMASA-N 2 1 247.317 1.724 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C[NH3+] ZINC000708839929 959861893 /nfs/dbraw/zinc/86/18/93/959861893.db2.gz GCIBVTAQPLSAQP-GXFFZTMASA-N 2 1 247.317 1.724 20 30 BDEDMP C[C@H]1C[N@H+](Cc2cc(F)cc(C#N)c2)C[C@H]1C[NH3+] ZINC000708842620 959909555 /nfs/dbraw/zinc/90/95/55/959909555.db2.gz ZZJMSAZDNWUPCL-GXFFZTMASA-N 2 1 247.317 1.724 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2cc(F)cc(C#N)c2)C[C@H]1C[NH3+] ZINC000708842620 959909575 /nfs/dbraw/zinc/90/95/75/959909575.db2.gz ZZJMSAZDNWUPCL-GXFFZTMASA-N 2 1 247.317 1.724 20 30 BDEDMP C[NH+](C)C1CCC([N@@H+](C)CCC#N)CC1 ZINC001168314340 964422953 /nfs/dbraw/zinc/42/29/53/964422953.db2.gz FEEBCYOVWKNVEE-UHFFFAOYSA-N 2 1 209.337 1.705 20 30 BDEDMP Cc1[nH+]c(N[C@H]2C[C@@](C)([NH3+])C2)ccc1CC#N ZINC001162328601 964933884 /nfs/dbraw/zinc/93/38/84/964933884.db2.gz HMCVOEHPFKWTML-BJHJDKERSA-N 2 1 230.315 1.748 20 30 BDEDMP C=CC(NCC[C@H]1CCC[N@@H+](C)C1)=[NH+]COC ZINC001165273661 966015287 /nfs/dbraw/zinc/01/52/87/966015287.db2.gz TXYJBTVPDGIRHX-GFCCVEGCSA-N 2 1 239.363 1.496 20 30 BDEDMP C#Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205146397 967386411 /nfs/dbraw/zinc/38/64/11/967386411.db2.gz UJOBBGTYMJJPGO-SWLSCSKDSA-N 2 1 228.339 1.695 20 30 BDEDMP C=C[C@@](C)(O)C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001252557632 968801686 /nfs/dbraw/zinc/80/16/86/968801686.db2.gz JEXJGKVSXOACLB-CQSZACIVSA-N 2 1 238.375 1.482 20 30 BDEDMP C=C[C@@](C)(O)C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001252557632 968801690 /nfs/dbraw/zinc/80/16/90/968801690.db2.gz JEXJGKVSXOACLB-CQSZACIVSA-N 2 1 238.375 1.482 20 30 BDEDMP C=CCC[C@H](O)C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001252614611 968873334 /nfs/dbraw/zinc/87/33/34/968873334.db2.gz MTELHLZNKBGYLZ-STQMWFEESA-N 2 1 226.364 1.387 20 30 BDEDMP C=CCC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC001252616937 968875643 /nfs/dbraw/zinc/87/56/43/968875643.db2.gz WERYYSXHPCGGAL-STQMWFEESA-N 2 1 226.364 1.387 20 30 BDEDMP C#CC(CC)(CC)[NH2+]C[C@@H](O)C[NH+](CC)CC ZINC001253173835 969095440 /nfs/dbraw/zinc/09/54/40/969095440.db2.gz HHGMMBMIWOODSB-CYBMUJFWSA-N 2 1 240.391 1.471 20 30 BDEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CC(C#N)C1)C2 ZINC001169119341 969413550 /nfs/dbraw/zinc/41/35/50/969413550.db2.gz RPEYRFGGJFGUPX-PAZDGXDMSA-N 2 1 219.332 1.503 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001246545764 972658518 /nfs/dbraw/zinc/65/85/18/972658518.db2.gz DABJLLCTYJAQHZ-UPJWGTAASA-N 2 1 239.338 1.832 20 30 BDEDMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001246550419 972705939 /nfs/dbraw/zinc/70/59/39/972705939.db2.gz JNENWMBHFMQUFB-UPJWGTAASA-N 2 1 221.348 1.882 20 30 BDEDMP C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCC[C@H]1C[NH3+] ZINC001246567432 972817142 /nfs/dbraw/zinc/81/71/42/972817142.db2.gz KUVKVLQHVPBKAF-YIYPIFLZSA-N 2 1 235.375 1.985 20 30 BDEDMP C#C[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112087 974371150 /nfs/dbraw/zinc/37/11/50/974371150.db2.gz STXGJKCCSNUGDK-ZDEQEGDKSA-N 2 1 206.333 1.613 20 30 BDEDMP C[C@@H](CCCC#N)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001172497894 974848123 /nfs/dbraw/zinc/84/81/23/974848123.db2.gz HIUKXLXPAMOIDI-BFHYXJOUSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@@H](CCCC#N)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001172499609 974851210 /nfs/dbraw/zinc/85/12/10/974851210.db2.gz YRSUFHFEAXZOMF-LBPRGKRZSA-N 2 1 232.331 1.824 20 30 BDEDMP C[C@@H](CCCC#N)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001172499609 974851211 /nfs/dbraw/zinc/85/12/11/974851211.db2.gz YRSUFHFEAXZOMF-LBPRGKRZSA-N 2 1 232.331 1.824 20 30 BDEDMP C=C[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001335425952 977049493 /nfs/dbraw/zinc/04/94/93/977049493.db2.gz KQPRVSKCDQCJBS-UKRRQHHQSA-N 2 1 248.370 1.643 20 30 BDEDMP C=C[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001335425952 977049510 /nfs/dbraw/zinc/04/95/10/977049510.db2.gz KQPRVSKCDQCJBS-UKRRQHHQSA-N 2 1 248.370 1.643 20 30 BDEDMP C#CC[N@H+]1CCC[C@@H](Nc2cc[nH+]cc2)C1 ZINC001337725912 978474044 /nfs/dbraw/zinc/47/40/44/978474044.db2.gz UCWRJTYTOPOXKG-CYBMUJFWSA-N 2 1 215.300 1.013 20 30 BDEDMP CCCCCCCN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234982298 978942771 /nfs/dbraw/zinc/94/27/71/978942771.db2.gz SFAQIHXRRDDKDO-AWEZNQCLSA-N 2 1 239.407 1.594 20 30 BDEDMP C#CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001275977987 984767943 /nfs/dbraw/zinc/76/79/43/984767943.db2.gz IFRCXVUVTVGZGC-GASCZTMLSA-N 2 1 249.402 1.110 20 30 BDEDMP C[N@@H+](CCCCC(C)(C)C#N)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578463343 985100890 /nfs/dbraw/zinc/10/08/90/985100890.db2.gz CUDDGHUGWFRWNU-ITGUQSILSA-N 2 1 235.375 1.856 20 30 BDEDMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC001254671664 986720451 /nfs/dbraw/zinc/72/04/51/986720451.db2.gz SQMGMLGRDGVWOS-WUHRBBMRSA-N 2 1 219.332 1.172 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC001254671664 986720454 /nfs/dbraw/zinc/72/04/54/986720454.db2.gz SQMGMLGRDGVWOS-WUHRBBMRSA-N 2 1 219.332 1.172 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC001254671664 986720463 /nfs/dbraw/zinc/72/04/63/986720463.db2.gz SQMGMLGRDGVWOS-WUHRBBMRSA-N 2 1 219.332 1.172 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246018331 987302332 /nfs/dbraw/zinc/30/23/32/987302332.db2.gz AVXRTLOKOOMUSP-KGLIPLIRSA-N 2 1 240.391 1.764 20 30 BDEDMP N#Cc1ccc(C2([NH2+]C3CC[NH2+]CC3)CC2)cc1 ZINC001246264906 987659013 /nfs/dbraw/zinc/65/90/13/987659013.db2.gz DSVFRMJSTKOLDO-UHFFFAOYSA-N 2 1 241.338 1.889 20 30 BDEDMP CCCCCCC[C@H](C)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246296711 987691138 /nfs/dbraw/zinc/69/11/38/987691138.db2.gz CEGUDOJMGWHLIP-MJBXVCDLSA-N 2 1 242.407 1.905 20 30 BDEDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)nc2)CC[NH2+]1 ZINC001246422394 987794108 /nfs/dbraw/zinc/79/41/08/987794108.db2.gz SUIYDPMDQFEXHO-CMPLNLGQSA-N 2 1 230.315 1.183 20 30 BDEDMP C#CC1([NH2+][C@@H]2CCCNC2)CCCCC1 ZINC001246465406 987824356 /nfs/dbraw/zinc/82/43/56/987824356.db2.gz YLCMIQUVVVXWLT-GFCCVEGCSA-N 2 1 206.333 1.664 20 30 BDEDMP C[C@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@H]1C[NH3+] ZINC001246539925 987903774 /nfs/dbraw/zinc/90/37/74/987903774.db2.gz IYIGQXZIOUQAJR-IRCOFANPSA-N 2 1 207.321 1.205 20 30 BDEDMP CC[C@H](CC#N)[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246629089 988310602 /nfs/dbraw/zinc/31/06/02/988310602.db2.gz PCNIJHHOSZNBQU-SNVBAGLBSA-N 2 1 213.300 1.441 20 30 BDEDMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C#N)CC2)CC[NH2+]1 ZINC001246830446 988523046 /nfs/dbraw/zinc/52/30/46/988523046.db2.gz HHTSILZTTMJTMW-JHJVBQTASA-N 2 1 221.348 1.753 20 30 BDEDMP C#C[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246837454 988538524 /nfs/dbraw/zinc/53/85/24/988538524.db2.gz UFRCBMAXSNIHFR-ICIURTGMSA-N 2 1 218.344 1.615 20 30 BDEDMP C=CCO[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC001326502834 989587378 /nfs/dbraw/zinc/58/73/78/989587378.db2.gz NTSIUNGDCWFBTH-STQMWFEESA-N 2 1 224.348 1.263 20 30 BDEDMP C#CC[N@H+]1CCC[C@H](NCC[NH2+]C(C)(C)C)C1 ZINC001574673511 992888584 /nfs/dbraw/zinc/88/85/84/992888584.db2.gz MPFPIDTXWXCFBW-ZDUSSCGKSA-N 2 1 237.391 1.062 20 30 BDEDMP C#CC[N@@H+]1CCC[C@H](NCC[NH2+]C(C)(C)C)C1 ZINC001574673511 992888591 /nfs/dbraw/zinc/88/85/91/992888591.db2.gz MPFPIDTXWXCFBW-ZDUSSCGKSA-N 2 1 237.391 1.062 20 30 BDEDMP C#CCOCC[N@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001574735234 992896088 /nfs/dbraw/zinc/89/60/88/992896088.db2.gz CZFBJAPYSSZQFX-KBPBESRZSA-N 2 1 236.359 1.087 20 30 BDEDMP C=CCC[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC001308134483 995560407 /nfs/dbraw/zinc/56/04/07/995560407.db2.gz BMOUVWUCLQRSSJ-KGLIPLIRSA-N 2 1 240.391 1.730 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000424291568 398180679 /nfs/dbraw/zinc/18/06/79/398180679.db2.gz DQJJXTSGISDYNR-XUXIUFHCSA-N 2 1 238.375 1.650 20 30 BDEDMP C=CCSCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422943858 398160249 /nfs/dbraw/zinc/16/02/49/398160249.db2.gz LCBBIRRXORMNCC-WDEREUQCSA-N 2 1 214.378 1.493 20 30 BDEDMP C[C@H](CNC(=[NH2+])N(C)C)[N@H+](C)Cc1ccccc1 ZINC000178573889 136217529 /nfs/dbraw/zinc/21/75/29/136217529.db2.gz BEKZIFICSAXRGD-GFCCVEGCSA-N 2 1 248.374 1.383 20 30 BDEDMP C[C@H](CNC(=[NH2+])N(C)C)[N@@H+](C)Cc1ccccc1 ZINC000178573889 136217530 /nfs/dbraw/zinc/21/75/30/136217530.db2.gz BEKZIFICSAXRGD-GFCCVEGCSA-N 2 1 248.374 1.383 20 30 BDEDMP C[C@@](C[NH3+])([NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000343743155 343280980 /nfs/dbraw/zinc/28/09/80/343280980.db2.gz JXMAZTBRZSLHKI-AWEZNQCLSA-N 2 1 229.327 1.775 20 30 BDEDMP C=CCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380160098 344495600 /nfs/dbraw/zinc/49/56/00/344495600.db2.gz AZDSUXODDALDIB-BETUJISGSA-N 2 1 208.349 1.884 20 30 BDEDMP C=CCC[C@@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000641760888 362683789 /nfs/dbraw/zinc/68/37/89/362683789.db2.gz ZDMOUXAUMVNXDF-ZDUSSCGKSA-N 2 1 249.358 1.564 20 30 BDEDMP C=CCC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000320808221 323183819 /nfs/dbraw/zinc/18/38/19/323183819.db2.gz WTLOWAZTDSTDBM-RWMBFGLXSA-N 2 1 226.364 1.386 20 30 BDEDMP C=CCC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000320808221 323183820 /nfs/dbraw/zinc/18/38/20/323183820.db2.gz WTLOWAZTDSTDBM-RWMBFGLXSA-N 2 1 226.364 1.386 20 30 BDEDMP CC#CCN(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000336646821 350416105 /nfs/dbraw/zinc/41/61/05/350416105.db2.gz LCWLUPFKLVYQKP-STQMWFEESA-N 2 1 208.349 1.814 20 30 BDEDMP CC#CC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000336646821 350416107 /nfs/dbraw/zinc/41/61/07/350416107.db2.gz LCWLUPFKLVYQKP-STQMWFEESA-N 2 1 208.349 1.814 20 30 BDEDMP CC#CC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000336646821 350416109 /nfs/dbraw/zinc/41/61/09/350416109.db2.gz LCWLUPFKLVYQKP-STQMWFEESA-N 2 1 208.349 1.814 20 30 BDEDMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000618578478 350679722 /nfs/dbraw/zinc/67/97/22/350679722.db2.gz AOWHNWSHRPMJTP-NWDGAFQWSA-N 2 1 232.331 1.635 20 30 BDEDMP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1CC[C@H](C#N)C1 ZINC000336654272 191124043 /nfs/dbraw/zinc/12/40/43/191124043.db2.gz GNZJEQPRVOCEPG-AGIUHOORSA-N 2 1 223.364 1.997 20 30 BDEDMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336654272 191124047 /nfs/dbraw/zinc/12/40/47/191124047.db2.gz GNZJEQPRVOCEPG-AGIUHOORSA-N 2 1 223.364 1.997 20 30 BDEDMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336654272 191124049 /nfs/dbraw/zinc/12/40/49/191124049.db2.gz GNZJEQPRVOCEPG-AGIUHOORSA-N 2 1 223.364 1.997 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]CCC[C@@H]2CCO2)CC1 ZINC000638524790 352358552 /nfs/dbraw/zinc/35/85/52/352358552.db2.gz SDEGEYOHTKXMHT-CQSZACIVSA-N 2 1 238.375 1.796 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cncc(C)c1 ZINC000295126679 353802289 /nfs/dbraw/zinc/80/22/89/353802289.db2.gz ZIYMXORPLOVFII-AWEZNQCLSA-N 2 1 245.370 1.996 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cncc(C)c1 ZINC000295126679 353802291 /nfs/dbraw/zinc/80/22/91/353802291.db2.gz ZIYMXORPLOVFII-AWEZNQCLSA-N 2 1 245.370 1.996 20 30 BDEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329132620 355898562 /nfs/dbraw/zinc/89/85/62/355898562.db2.gz AUHBMAOZHMSQOL-JOYOIKCWSA-N 2 1 248.330 1.318 20 30 BDEDMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000329132620 355898567 /nfs/dbraw/zinc/89/85/67/355898567.db2.gz AUHBMAOZHMSQOL-JOYOIKCWSA-N 2 1 248.330 1.318 20 30 BDEDMP C=CCCC[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000398193114 357859515 /nfs/dbraw/zinc/85/95/15/357859515.db2.gz SDYPKTSWMQEWGS-GXTWGEPZSA-N 2 1 240.391 1.776 20 30 BDEDMP C=CCCC[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000398193114 357859517 /nfs/dbraw/zinc/85/95/17/357859517.db2.gz SDYPKTSWMQEWGS-GXTWGEPZSA-N 2 1 240.391 1.776 20 30 BDEDMP CC#CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000121815448 134235778 /nfs/dbraw/zinc/23/57/78/134235778.db2.gz GSTJKHJAEHNBLL-AWEZNQCLSA-N 2 1 220.360 1.960 20 30 BDEDMP CC#CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000121815448 134235779 /nfs/dbraw/zinc/23/57/79/134235779.db2.gz GSTJKHJAEHNBLL-AWEZNQCLSA-N 2 1 220.360 1.960 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000305069534 134239640 /nfs/dbraw/zinc/23/96/40/134239640.db2.gz IXNVXLYSXTUDCI-UONOGXRCSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CCC[C@@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000305069534 134239641 /nfs/dbraw/zinc/23/96/41/134239641.db2.gz IXNVXLYSXTUDCI-UONOGXRCSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CCC[C@@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000305069534 134239642 /nfs/dbraw/zinc/23/96/42/134239642.db2.gz IXNVXLYSXTUDCI-UONOGXRCSA-N 2 1 240.391 1.587 20 30 BDEDMP C=C(C)COCC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246410672 359079484 /nfs/dbraw/zinc/07/94/84/359079484.db2.gz MKVMGIKYMDQYPD-UONOGXRCSA-N 2 1 240.391 1.899 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246569189 359147566 /nfs/dbraw/zinc/14/75/66/359147566.db2.gz AMYRKPKAHHTFOF-STQMWFEESA-N 2 1 226.364 1.197 20 30 BDEDMP C=CCOCC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000309498122 491150284 /nfs/dbraw/zinc/15/02/84/491150284.db2.gz ZAAZMFSGZQSIRB-QWHCGFSZSA-N 2 1 226.364 1.509 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000438203874 201398941 /nfs/dbraw/zinc/39/89/41/201398941.db2.gz TZRPICRPXUUOQC-ZDUSSCGKSA-N 2 1 238.375 1.653 20 30 BDEDMP Cc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1C#N ZINC000618594641 369180575 /nfs/dbraw/zinc/18/05/75/369180575.db2.gz SCOJFTFENWRHFF-HUUCEWRRSA-N 2 1 241.338 1.518 20 30 BDEDMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000600769096 369561572 /nfs/dbraw/zinc/56/15/72/369561572.db2.gz NUWAOHUMWUQWOJ-GHMZBOCLSA-N 2 1 233.315 1.710 20 30 BDEDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000600769096 369561578 /nfs/dbraw/zinc/56/15/78/369561578.db2.gz NUWAOHUMWUQWOJ-GHMZBOCLSA-N 2 1 233.315 1.710 20 30 BDEDMP C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CCC[NH2+]C1 ZINC000600769595 369562645 /nfs/dbraw/zinc/56/26/45/369562645.db2.gz PFALYPGDDSFPDE-QWRGUYRKSA-N 2 1 233.315 1.629 20 30 BDEDMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@H](C)C1 ZINC000424328772 206037533 /nfs/dbraw/zinc/03/75/33/206037533.db2.gz ONBZZLJUEVUHHJ-XJFOESAGSA-N 2 1 235.375 1.999 20 30 BDEDMP C=C(C)COCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000222308119 134331842 /nfs/dbraw/zinc/33/18/42/134331842.db2.gz BMHMDDMHWKQFIA-QWHCGFSZSA-N 2 1 226.364 1.509 20 30 BDEDMP C=C(C)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174713958 384354876 /nfs/dbraw/zinc/35/48/76/384354876.db2.gz DLVCWRMNQDQKDC-UHFFFAOYSA-N 2 1 225.380 1.132 20 30 BDEDMP C[NH+]1CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000308914935 384384602 /nfs/dbraw/zinc/38/46/02/384384602.db2.gz FQMFITGXEQRGAV-PWSUYJOCSA-N 2 1 207.321 1.362 20 30 BDEDMP C#CCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000363480594 384551815 /nfs/dbraw/zinc/55/18/15/384551815.db2.gz OAHLDSRFSRZMAQ-CYBMUJFWSA-N 2 1 206.333 1.427 20 30 BDEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000044535421 384659080 /nfs/dbraw/zinc/65/90/80/384659080.db2.gz BKSXBFWJRRWNNX-HNNXBMFYSA-N 2 1 243.354 1.990 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]CCSCC)CC1 ZINC000309063721 385391482 /nfs/dbraw/zinc/39/14/82/385391482.db2.gz YEUVPNCWHKFXMV-UHFFFAOYSA-N 2 1 228.405 1.980 20 30 BDEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170905400 385454743 /nfs/dbraw/zinc/45/47/43/385454743.db2.gz NLHVNYAUWQIVBH-LLVKDONJSA-N 2 1 247.346 1.150 20 30 BDEDMP CC[N@@H+](CCNC(=[NH2+])Nc1ccccn1)C1CC1 ZINC000170914453 385456342 /nfs/dbraw/zinc/45/63/42/385456342.db2.gz YIEQFGVRMCGUST-UHFFFAOYSA-N 2 1 247.346 1.293 20 30 BDEDMP C[N@H+]1CC[C@H]([NH2+]CCCC#N)[C@@H]2CCC[C@H]21 ZINC000309597401 385725608 /nfs/dbraw/zinc/72/56/08/385725608.db2.gz WPJISQLDHCPSNC-RWMBFGLXSA-N 2 1 221.348 1.753 20 30 BDEDMP C=CCOc1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415030457 386519925 /nfs/dbraw/zinc/51/99/25/386519925.db2.gz DYBHCVYPSVYOGY-FICVDOATSA-N 2 1 244.338 1.559 20 30 BDEDMP C=CCC[C@@H](CC)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423515191 387350268 /nfs/dbraw/zinc/35/02/68/387350268.db2.gz MUJPWHCOHNZFOF-CHWSQXEVSA-N 2 1 225.380 1.224 20 30 BDEDMP C[NH+](C)Cc1cccc(C[NH2+]CCC#N)c1 ZINC000515235114 387352992 /nfs/dbraw/zinc/35/29/92/387352992.db2.gz ZTDGBMZEVOQSJA-UHFFFAOYSA-N 2 1 217.316 1.751 20 30 BDEDMP C=CC[N@H+](CCCc1cncn1C)CCOC ZINC000516487955 387510701 /nfs/dbraw/zinc/51/07/01/387510701.db2.gz GEFMWNOSIZSCQR-UHFFFAOYSA-N 2 1 237.347 1.487 20 30 BDEDMP C=CC[N@H+](CCCc1c[nH+]cn1C)CCOC ZINC000516487955 387510710 /nfs/dbraw/zinc/51/07/10/387510710.db2.gz GEFMWNOSIZSCQR-UHFFFAOYSA-N 2 1 237.347 1.487 20 30 BDEDMP C=CC[NH+]1CCC(N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422863845 387747569 /nfs/dbraw/zinc/74/75/69/387747569.db2.gz SLIAXMVWFVFGHE-TZMCWYRMSA-N 2 1 237.391 1.354 20 30 BDEDMP C=CCCOCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423011230 387833300 /nfs/dbraw/zinc/83/33/00/387833300.db2.gz IGHPWLCTEOQHSK-LLVKDONJSA-N 2 1 235.331 1.737 20 30 BDEDMP C#CC[NH+](C)CCCN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000328119347 387878408 /nfs/dbraw/zinc/87/84/08/387878408.db2.gz QIXKCFUFGIPKGN-KBPBESRZSA-N 2 1 249.402 1.156 20 30 BDEDMP C#CC[N@@H+](C)CCCN[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000328119347 387878412 /nfs/dbraw/zinc/87/84/12/387878412.db2.gz QIXKCFUFGIPKGN-KBPBESRZSA-N 2 1 249.402 1.156 20 30 BDEDMP C#CC[N@H+](C)CCCN[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000328119347 387878416 /nfs/dbraw/zinc/87/84/16/387878416.db2.gz QIXKCFUFGIPKGN-KBPBESRZSA-N 2 1 249.402 1.156 20 30 BDEDMP C#CC[NH+](C)CCCN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000328119350 387878464 /nfs/dbraw/zinc/87/84/64/387878464.db2.gz QIXKCFUFGIPKGN-ZIAGYGMSSA-N 2 1 249.402 1.156 20 30 BDEDMP C#CC[N@@H+](C)CCCN[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000328119350 387878468 /nfs/dbraw/zinc/87/84/68/387878468.db2.gz QIXKCFUFGIPKGN-ZIAGYGMSSA-N 2 1 249.402 1.156 20 30 BDEDMP C#CC[N@H+](C)CCCN[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000328119350 387878472 /nfs/dbraw/zinc/87/84/72/387878472.db2.gz QIXKCFUFGIPKGN-ZIAGYGMSSA-N 2 1 249.402 1.156 20 30 BDEDMP N#CCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000157910014 387883449 /nfs/dbraw/zinc/88/34/49/387883449.db2.gz GNWNTJWYAVOPLN-NEPJUHHUSA-N 2 1 207.321 1.507 20 30 BDEDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC[N@@H+]1C ZINC000424319599 387970292 /nfs/dbraw/zinc/97/02/92/387970292.db2.gz FFGWMNFMJTXGCY-XQHKEYJVSA-N 2 1 221.348 1.751 20 30 BDEDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC[N@H+]1C ZINC000424319599 387970300 /nfs/dbraw/zinc/97/03/00/387970300.db2.gz FFGWMNFMJTXGCY-XQHKEYJVSA-N 2 1 221.348 1.751 20 30 BDEDMP C=CCn1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])nn1 ZINC000424372327 387996941 /nfs/dbraw/zinc/99/69/41/387996941.db2.gz GPAVGCJSQIKRBW-YPMHNXCESA-N 2 1 249.362 1.071 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000451681719 388289874 /nfs/dbraw/zinc/28/98/74/388289874.db2.gz NCGSCWBUUFLTGK-KGLIPLIRSA-N 2 1 249.358 1.905 20 30 BDEDMP C=CC[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192832120 388686251 /nfs/dbraw/zinc/68/62/51/388686251.db2.gz OFZHFDNUXHAUDO-UHFFFAOYSA-N 2 1 239.407 1.520 20 30 BDEDMP C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)C1C[NH2+]C1 ZINC000423021810 388686816 /nfs/dbraw/zinc/68/68/16/388686816.db2.gz CYNOZIHSYZMVCW-LLVKDONJSA-N 2 1 241.338 1.745 20 30 BDEDMP CC[C@@H]([NH2+]CC[NH3+])c1ccc(C#N)cc1 ZINC000423175990 388688493 /nfs/dbraw/zinc/68/84/93/388688493.db2.gz BKOALGBLEMKKTL-GFCCVEGCSA-N 2 1 203.289 1.558 20 30 BDEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)CC2 ZINC000423284168 388690153 /nfs/dbraw/zinc/69/01/53/388690153.db2.gz WLNQMVDYLPUVFH-GJZGRUSLSA-N 2 1 241.338 1.872 20 30 BDEDMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423455779 388693092 /nfs/dbraw/zinc/69/30/92/388693092.db2.gz CVQBWJPQTLAMRN-GWCFXTLKSA-N 2 1 217.316 1.946 20 30 BDEDMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423441634 388693211 /nfs/dbraw/zinc/69/32/11/388693211.db2.gz JDIZKNNKZRHCKM-DCAQKATOSA-N 2 1 217.316 1.945 20 30 BDEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000335665331 533513289 /nfs/dbraw/zinc/51/32/89/533513289.db2.gz AVJYSJMPYDCCCX-ZDUSSCGKSA-N 2 1 208.349 1.980 20 30 BDEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000335665331 533513294 /nfs/dbraw/zinc/51/32/94/533513294.db2.gz AVJYSJMPYDCCCX-ZDUSSCGKSA-N 2 1 208.349 1.980 20 30 BDEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000335665331 533513297 /nfs/dbraw/zinc/51/32/97/533513297.db2.gz AVJYSJMPYDCCCX-ZDUSSCGKSA-N 2 1 208.349 1.980 20 30 BDEDMP C[N@H+](CCNC(=[NH2+])Nc1ccccc1)C1CC1 ZINC000060394449 134392686 /nfs/dbraw/zinc/39/26/86/134392686.db2.gz NYWLVOUZOHKMBC-UHFFFAOYSA-N 2 1 232.331 1.507 20 30 BDEDMP C[N@@H+](CCNC(=[NH2+])Nc1ccccc1)C1CC1 ZINC000060394449 134392687 /nfs/dbraw/zinc/39/26/87/134392687.db2.gz NYWLVOUZOHKMBC-UHFFFAOYSA-N 2 1 232.331 1.507 20 30 BDEDMP CCc1cccc(NC(=[NH2+])NCC[N@@H+](C)CC)c1 ZINC000264122950 135134436 /nfs/dbraw/zinc/13/44/36/135134436.db2.gz VQESMKLQBBPUAJ-UHFFFAOYSA-N 2 1 248.374 1.927 20 30 BDEDMP CCc1cccc(NC(=[NH2+])NCC[N@H+](C)CC)c1 ZINC000264122950 135134437 /nfs/dbraw/zinc/13/44/37/135134437.db2.gz VQESMKLQBBPUAJ-UHFFFAOYSA-N 2 1 248.374 1.927 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261555685 135194952 /nfs/dbraw/zinc/19/49/52/135194952.db2.gz BQNHCWDGNGSEDB-LSDHHAIUSA-N 2 1 241.338 1.600 20 30 BDEDMP N#Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261555685 135194954 /nfs/dbraw/zinc/19/49/54/135194954.db2.gz BQNHCWDGNGSEDB-LSDHHAIUSA-N 2 1 241.338 1.600 20 30 BDEDMP [NH2+]=C(NC[C@@H]1CCCC[N@H+]1C1CC1)NC1CC1 ZINC000262708396 135314802 /nfs/dbraw/zinc/31/48/02/135314802.db2.gz BZIFIWLZRVXEOW-LBPRGKRZSA-N 2 1 236.363 1.070 20 30 BDEDMP C#CCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000271024268 166135440 /nfs/dbraw/zinc/13/54/40/166135440.db2.gz OPUPYLFYWCUIGK-UHFFFAOYSA-N 2 1 205.305 1.537 20 30 BDEDMP C#CCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000271024268 166135442 /nfs/dbraw/zinc/13/54/42/166135442.db2.gz OPUPYLFYWCUIGK-UHFFFAOYSA-N 2 1 205.305 1.537 20 30 BDEDMP C=CC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345570 411209162 /nfs/dbraw/zinc/20/91/62/411209162.db2.gz GBHPYJUEAVGVKT-XQQFMLRXSA-N 2 1 224.348 1.391 20 30 BDEDMP C=CCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658116098 411248989 /nfs/dbraw/zinc/24/89/89/411248989.db2.gz YSOWMGLFXIENQI-CYBMUJFWSA-N 2 1 224.348 1.405 20 30 BDEDMP C=CCOCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657659216 411572538 /nfs/dbraw/zinc/57/25/38/411572538.db2.gz RMQVGXOJFXASKO-UONOGXRCSA-N 2 1 238.375 1.796 20 30 BDEDMP C=CC[C@H]1CCC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000662299911 412086388 /nfs/dbraw/zinc/08/63/88/412086388.db2.gz ZKVUIXSCRAMSER-QWHCGFSZSA-N 2 1 226.364 1.245 20 30 BDEDMP Cn1cc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc1C#N ZINC000276766461 173143079 /nfs/dbraw/zinc/14/30/79/173143079.db2.gz NTJOMHDXGSDBIB-LBPRGKRZSA-N 2 1 246.358 1.280 20 30 BDEDMP Cn1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1C#N ZINC000276766461 173143081 /nfs/dbraw/zinc/14/30/81/173143081.db2.gz NTJOMHDXGSDBIB-LBPRGKRZSA-N 2 1 246.358 1.280 20 30 BDEDMP Cn1cc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)cc1C#N ZINC000276766461 173143084 /nfs/dbraw/zinc/14/30/84/173143084.db2.gz NTJOMHDXGSDBIB-LBPRGKRZSA-N 2 1 246.358 1.280 20 30 BDEDMP Cn1cc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)cc1C#N ZINC000276766461 173143085 /nfs/dbraw/zinc/14/30/85/173143085.db2.gz NTJOMHDXGSDBIB-LBPRGKRZSA-N 2 1 246.358 1.280 20 30 BDEDMP C#CC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000248066292 323015820 /nfs/dbraw/zinc/01/58/20/323015820.db2.gz ZMGBQLNWOFSBKN-UONOGXRCSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000248066292 323015821 /nfs/dbraw/zinc/01/58/21/323015821.db2.gz ZMGBQLNWOFSBKN-UONOGXRCSA-N 2 1 238.375 1.346 20 30 BDEDMP C=CCNC(=[NH2+])NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000261878741 534845236 /nfs/dbraw/zinc/84/52/36/534845236.db2.gz QOAIMAAVWVCRND-NWDGAFQWSA-N 2 1 238.379 1.340 20 30 BDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CC[C@@H]1C ZINC000262632619 535548581 /nfs/dbraw/zinc/54/85/81/535548581.db2.gz GAPZMJGOIJXACE-QJPTWQEYSA-N 2 1 238.379 1.174 20 30 BDEDMP C[C@@H]1CN=C(N[NH+]=Cc2ccc(N(C)C)cc2)N1 ZINC000779806023 582736959 /nfs/dbraw/zinc/73/69/59/582736959.db2.gz YOAPUPWWTLSRIG-SNVBAGLBSA-N 2 1 245.330 1.024 20 30 BDEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])NC(C)(C)C ZINC000104191481 583162651 /nfs/dbraw/zinc/16/26/51/583162651.db2.gz JMCBBXAYTITAQP-SNVBAGLBSA-N 2 1 228.384 1.420 20 30 BDEDMP C=CC[N@@H+](CCC#N)CC1CC[NH+](C)CC1 ZINC000894584857 583489315 /nfs/dbraw/zinc/48/93/15/583489315.db2.gz MOIIOUHAXVMROY-UHFFFAOYSA-N 2 1 221.348 1.730 20 30 BDEDMP C=CC[N@H+](CCC#N)CC1CC[NH+](C)CC1 ZINC000894584857 583489317 /nfs/dbraw/zinc/48/93/17/583489317.db2.gz MOIIOUHAXVMROY-UHFFFAOYSA-N 2 1 221.348 1.730 20 30 BDEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000203306818 583967089 /nfs/dbraw/zinc/96/70/89/583967089.db2.gz MFBQSOWISULKPZ-NSHDSACASA-N 2 1 238.379 1.175 20 30 BDEDMP N#C[C@@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000903564471 584782345 /nfs/dbraw/zinc/78/23/45/584782345.db2.gz WLJDKDQYDZHWOK-LBPRGKRZSA-N 2 1 209.337 1.741 20 30 BDEDMP N#C[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903988488 584836030 /nfs/dbraw/zinc/83/60/30/584836030.db2.gz SWSDYLDFCCZNQL-FUDCBSFHSA-N 2 1 233.359 1.753 20 30 BDEDMP C[C@H](C#N)OCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000801952769 586283836 /nfs/dbraw/zinc/28/38/36/586283836.db2.gz DOSFEGJGLRTOQS-CYBMUJFWSA-N 2 1 239.363 1.333 20 30 BDEDMP C[C@H](C#N)OCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000801952769 586283838 /nfs/dbraw/zinc/28/38/38/586283838.db2.gz DOSFEGJGLRTOQS-CYBMUJFWSA-N 2 1 239.363 1.333 20 30 BDEDMP C#Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000809595112 586508726 /nfs/dbraw/zinc/50/87/26/586508726.db2.gz FCHRNNKXYPLTPB-GASCZTMLSA-N 2 1 226.323 1.319 20 30 BDEDMP COc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc1C#N ZINC000817915079 586839405 /nfs/dbraw/zinc/83/94/05/586839405.db2.gz HSDLPBIBRCIXPH-JTQLQIEISA-N 2 1 245.326 1.264 20 30 BDEDMP N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000817920043 586839953 /nfs/dbraw/zinc/83/99/53/586839953.db2.gz ZKYQYIOQQQCSPU-ZIAGYGMSSA-N 2 1 245.326 1.558 20 30 BDEDMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000817970072 586856790 /nfs/dbraw/zinc/85/67/90/586856790.db2.gz KVPFBWQWWSJPCY-IINYFYTJSA-N 2 1 229.327 1.872 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)C2CC2)CC1 ZINC000819023832 586925176 /nfs/dbraw/zinc/92/51/76/586925176.db2.gz KBAIKHLDVOOVAG-AWEZNQCLSA-N 2 1 238.375 1.387 20 30 BDEDMP C=C(CC)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000849038193 588446398 /nfs/dbraw/zinc/44/63/98/588446398.db2.gz KTBHMKUTCLGEDO-LBPRGKRZSA-N 2 1 238.379 1.551 20 30 BDEDMP C#CCOCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000851813078 588632504 /nfs/dbraw/zinc/63/25/04/588632504.db2.gz PJYVUKYUJQJMJB-UONOGXRCSA-N 2 1 236.359 1.052 20 30 BDEDMP C#CCOCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000851813078 588632505 /nfs/dbraw/zinc/63/25/05/588632505.db2.gz PJYVUKYUJQJMJB-UONOGXRCSA-N 2 1 236.359 1.052 20 30 BDEDMP C#C[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000852215840 588673242 /nfs/dbraw/zinc/67/32/42/588673242.db2.gz ONTYYYQLJBWPQS-KBPBESRZSA-N 2 1 238.375 1.033 20 30 BDEDMP C#C[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000852215840 588673243 /nfs/dbraw/zinc/67/32/43/588673243.db2.gz ONTYYYQLJBWPQS-KBPBESRZSA-N 2 1 238.375 1.033 20 30 BDEDMP C#C[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000852215840 588673244 /nfs/dbraw/zinc/67/32/44/588673244.db2.gz ONTYYYQLJBWPQS-KBPBESRZSA-N 2 1 238.375 1.033 20 30 BDEDMP C#C[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000852215840 588673245 /nfs/dbraw/zinc/67/32/45/588673245.db2.gz ONTYYYQLJBWPQS-KBPBESRZSA-N 2 1 238.375 1.033 20 30 BDEDMP C#CCC[N@@H+](CCOC)CCn1cc[nH+]c1C ZINC000852748676 588699281 /nfs/dbraw/zinc/69/92/81/588699281.db2.gz FEXVMYATCPRKEE-UHFFFAOYSA-N 2 1 235.331 1.163 20 30 BDEDMP C#CCC[N@H+](CCOC)CCn1cc[nH+]c1C ZINC000852748676 588699282 /nfs/dbraw/zinc/69/92/82/588699282.db2.gz FEXVMYATCPRKEE-UHFFFAOYSA-N 2 1 235.331 1.163 20 30 BDEDMP C=CC[C@@H](C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000878109236 590495883 /nfs/dbraw/zinc/49/58/83/590495883.db2.gz OAORWQATLLKVJK-CYBMUJFWSA-N 2 1 240.391 1.730 20 30 BDEDMP C=CCC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879575873 590812725 /nfs/dbraw/zinc/81/27/25/590812725.db2.gz NRDOSJMWHSNECU-HZSPNIEDSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879575873 590812728 /nfs/dbraw/zinc/81/27/28/590812728.db2.gz NRDOSJMWHSNECU-HZSPNIEDSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879575873 590812733 /nfs/dbraw/zinc/81/27/33/590812733.db2.gz NRDOSJMWHSNECU-HZSPNIEDSA-N 2 1 238.375 1.340 20 30 BDEDMP C#CCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261542 590979977 /nfs/dbraw/zinc/97/99/77/590979977.db2.gz WDKDTMQKTKDPCQ-ZDUSSCGKSA-N 2 1 229.327 1.615 20 30 BDEDMP C#CCSCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000129981213 591426830 /nfs/dbraw/zinc/42/68/30/591426830.db2.gz BNBNARCWVHBWFK-CHWSQXEVSA-N 2 1 238.400 1.569 20 30 BDEDMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])NC(C)(C)C)C1 ZINC000104168245 592602771 /nfs/dbraw/zinc/60/27/71/592602771.db2.gz TZSCBJZAAWKFRN-NSHDSACASA-N 2 1 240.395 1.421 20 30 BDEDMP CC#CCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933736895 631499270 /nfs/dbraw/zinc/49/92/70/631499270.db2.gz KHTZIZAXVFYJKY-QWHCGFSZSA-N 2 1 206.333 1.283 20 30 BDEDMP C#CCC[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000162481430 636034145 /nfs/dbraw/zinc/03/41/45/636034145.db2.gz VNRJNYTWFFWIBC-OAHLLOKOSA-N 2 1 249.402 1.112 20 30 BDEDMP C=CCSCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328458159 633766118 /nfs/dbraw/zinc/76/61/18/633766118.db2.gz SLOSKZAXZCQCRO-OBPIAQAESA-N 2 1 238.400 1.492 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925682761 634288306 /nfs/dbraw/zinc/28/83/06/634288306.db2.gz FDXIZUDBGOGMCZ-WOPDTQHZSA-N 2 1 222.332 1.204 20 30 BDEDMP CC#CCN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931311779 640147665 /nfs/dbraw/zinc/14/76/65/640147665.db2.gz SUUPZKUINNGBKW-BETUJISGSA-N 2 1 206.333 1.283 20 30 BDEDMP C=CCOCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931352700 640167901 /nfs/dbraw/zinc/16/79/01/640167901.db2.gz QTKAUYZRPNITHE-UHFFFAOYSA-N 2 1 226.364 1.605 20 30 BDEDMP C=CCCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931513561 640241584 /nfs/dbraw/zinc/24/15/84/640241584.db2.gz ZMZKKDYOXFDMIB-UHFFFAOYSA-N 2 1 217.316 1.988 20 30 BDEDMP C=CCCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931513561 640241601 /nfs/dbraw/zinc/24/16/01/640241601.db2.gz ZMZKKDYOXFDMIB-UHFFFAOYSA-N 2 1 217.316 1.988 20 30 BDEDMP C#CC[N@@H+](CC[C@H]1CCC[NH+]1C)C(C)C ZINC000932388324 640498943 /nfs/dbraw/zinc/49/89/43/640498943.db2.gz GRTQHEWZHJMHKA-CYBMUJFWSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CC[N@H+](CC[C@H]1CCC[NH+]1C)C(C)C ZINC000932388324 640498946 /nfs/dbraw/zinc/49/89/46/640498946.db2.gz GRTQHEWZHJMHKA-CYBMUJFWSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CC[NH+](CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000932388324 640498950 /nfs/dbraw/zinc/49/89/50/640498950.db2.gz GRTQHEWZHJMHKA-CYBMUJFWSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CC[NH+](CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000932388324 640498951 /nfs/dbraw/zinc/49/89/51/640498951.db2.gz GRTQHEWZHJMHKA-CYBMUJFWSA-N 2 1 208.349 1.814 20 30 BDEDMP C[C@@H](CC#N)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063120813 641135510 /nfs/dbraw/zinc/13/55/10/641135510.db2.gz CHQBAGDLEWQSFG-NSHDSACASA-N 2 1 209.337 1.562 20 30 BDEDMP C=CCCC[N@@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000934645030 641226649 /nfs/dbraw/zinc/22/66/49/641226649.db2.gz MEDPCDLHGVHPEL-AWEZNQCLSA-N 2 1 240.391 1.730 20 30 BDEDMP C=CCCC[N@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000934645030 641226655 /nfs/dbraw/zinc/22/66/55/641226655.db2.gz MEDPCDLHGVHPEL-AWEZNQCLSA-N 2 1 240.391 1.730 20 30 BDEDMP C=CCCC[NH+](CC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000934645030 641226662 /nfs/dbraw/zinc/22/66/62/641226662.db2.gz MEDPCDLHGVHPEL-AWEZNQCLSA-N 2 1 240.391 1.730 20 30 BDEDMP C=CCCC[NH+](CC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000934645030 641226670 /nfs/dbraw/zinc/22/66/70/641226670.db2.gz MEDPCDLHGVHPEL-AWEZNQCLSA-N 2 1 240.391 1.730 20 30 BDEDMP C[C@H](C[NH2+]Cc1csc(C#N)c1)C[NH+](C)C ZINC000922144284 643871918 /nfs/dbraw/zinc/87/19/18/643871918.db2.gz VUFHGWJDUMUCQE-SNVBAGLBSA-N 2 1 237.372 1.907 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000923288470 644324404 /nfs/dbraw/zinc/32/44/04/644324404.db2.gz KAKNRVCMJVJVHI-XQQFMLRXSA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923288469 644324484 /nfs/dbraw/zinc/32/44/84/644324484.db2.gz KAKNRVCMJVJVHI-UPJWGTAASA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@H](O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000923369901 644380454 /nfs/dbraw/zinc/38/04/54/644380454.db2.gz NICXRCDURSTKFJ-MROQNXINSA-N 2 1 226.364 1.290 20 30 BDEDMP C=CCC[C@@H](O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000923374904 644389293 /nfs/dbraw/zinc/38/92/93/644389293.db2.gz VVRXXZNIPLNZJV-ZIAGYGMSSA-N 2 1 240.391 1.811 20 30 BDEDMP C=CCC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000923426413 644422959 /nfs/dbraw/zinc/42/29/59/644422959.db2.gz DCRWMFKAXZYSIA-OLZOCXBDSA-N 2 1 238.375 1.578 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923430643 644424122 /nfs/dbraw/zinc/42/41/22/644424122.db2.gz JBSFULQNNORCMM-JHJVBQTASA-N 2 1 226.364 1.230 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1C[NH3+] ZINC000923492938 644467208 /nfs/dbraw/zinc/46/72/08/644467208.db2.gz ZPQKZWGJDDYHHH-CHWSQXEVSA-N 2 1 243.354 1.975 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1C[NH3+] ZINC000923497988 644472467 /nfs/dbraw/zinc/47/24/67/644472467.db2.gz HEQNQZLPFSAJKB-SWLSCSKDSA-N 2 1 243.354 1.975 20 30 BDEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])NCCC(C)C)C1 ZINC000303893676 644854519 /nfs/dbraw/zinc/85/45/19/644854519.db2.gz OIOAAPGEWZFESX-GFCCVEGCSA-N 2 1 240.395 1.279 20 30 BDEDMP CCCCCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 ZINC000303895904 644856568 /nfs/dbraw/zinc/85/65/68/644856568.db2.gz PSLOUUKPEGFLTF-LBPRGKRZSA-N 2 1 240.395 1.423 20 30 BDEDMP CC(C)CCNC(=[NH2+])NC[C@H](C)[N@@H+](C)C1CC1 ZINC000303974617 644861572 /nfs/dbraw/zinc/86/15/72/644861572.db2.gz ICLUJRMBSYQKEQ-NSHDSACASA-N 2 1 240.395 1.420 20 30 BDEDMP CC[N@@H+](CCNC(=[NH2+])NCCC(C)C)C(C)C ZINC000303977763 644862531 /nfs/dbraw/zinc/86/25/31/644862531.db2.gz LRFCDTHRMBGXOX-UHFFFAOYSA-N 2 1 242.411 1.667 20 30 BDEDMP CCCCNC(=[NH2+])NC[C@H](C)[N@@H+](C)C1CC1 ZINC000303988941 644863205 /nfs/dbraw/zinc/86/32/05/644863205.db2.gz XACGSSDLFAKGMN-JTQLQIEISA-N 2 1 226.368 1.174 20 30 BDEDMP CCC[N@@H+](CC)CCNC(NCC)=[NH+]CC ZINC000304481878 644910219 /nfs/dbraw/zinc/91/02/19/644910219.db2.gz KCJFJFDBDLUYAC-UHFFFAOYSA-N 2 1 228.384 1.293 20 30 BDEDMP C=C(C)C[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000925772795 646473938 /nfs/dbraw/zinc/47/39/38/646473938.db2.gz UQNRHBFOCQTDAC-TUAOUCFPSA-N 2 1 212.337 1.044 20 30 BDEDMP C=C(C)C[C@@H](CO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000925772789 646472542 /nfs/dbraw/zinc/47/25/42/646472542.db2.gz UQNRHBFOCQTDAC-SDDRHHMPSA-N 2 1 212.337 1.044 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000723713666 711535517 /nfs/dbraw/zinc/53/55/17/711535517.db2.gz XFHMVTDXGPOSMO-CQSZACIVSA-N 2 1 229.327 1.729 20 30 BDEDMP CCCCNC(=[NH2+])NCC[N@@H+](CC)C1CC1 ZINC000104191613 711575210 /nfs/dbraw/zinc/57/52/10/711575210.db2.gz NUVNDONYTIBKPR-UHFFFAOYSA-N 2 1 226.368 1.175 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000328129112 711689906 /nfs/dbraw/zinc/68/99/06/711689906.db2.gz VQKWDXLURXZQTG-KGLIPLIRSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000328129112 711689907 /nfs/dbraw/zinc/68/99/07/711689907.db2.gz VQKWDXLURXZQTG-KGLIPLIRSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000705951546 712138304 /nfs/dbraw/zinc/13/83/04/712138304.db2.gz DJQAYNUXPCGKSH-ZIAGYGMSSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000705951546 712138306 /nfs/dbraw/zinc/13/83/06/712138306.db2.gz DJQAYNUXPCGKSH-ZIAGYGMSSA-N 2 1 238.375 1.489 20 30 BDEDMP N#CCC1CCC([N@@H+]2CCC[C@@H]2CN)CC1 ZINC001246913099 973452794 /nfs/dbraw/zinc/45/27/94/973452794.db2.gz KANSLCRSOPIRSK-WXRRBKDZSA-N 2 1 221.348 1.882 20 30 BDEDMP N#CCC1CCC([N@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC001246913099 973452807 /nfs/dbraw/zinc/45/28/07/973452807.db2.gz KANSLCRSOPIRSK-WXRRBKDZSA-N 2 1 221.348 1.882 20 30 BDEDMP N#CCC1CCC([N@@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC001246913099 973452813 /nfs/dbraw/zinc/45/28/13/973452813.db2.gz KANSLCRSOPIRSK-WXRRBKDZSA-N 2 1 221.348 1.882 20 30 BDEDMP C[NH+](C)CCC[N@@H+](C)C1CCC(C#N)CC1 ZINC001256965297 971027461 /nfs/dbraw/zinc/02/74/61/971027461.db2.gz PWQQTEUHHCQNPR-UHFFFAOYSA-N 2 1 223.364 1.952 20 30 BDEDMP C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC([NH3+])C1 ZINC000402189412 958180818 /nfs/dbraw/zinc/18/08/18/958180818.db2.gz ZEKMUQNYSPFRBE-JXQTWKCFSA-N 2 1 245.326 1.013 20 30 BDEDMP C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC([NH3+])C1 ZINC000402189412 958180824 /nfs/dbraw/zinc/18/08/24/958180824.db2.gz ZEKMUQNYSPFRBE-JXQTWKCFSA-N 2 1 245.326 1.013 20 30 BDEDMP N#Cc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cn1 ZINC001206623335 960669185 /nfs/dbraw/zinc/66/91/85/960669185.db2.gz LFTSXVZAHQKLJH-GFCCVEGCSA-N 2 1 244.342 1.514 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cn1 ZINC001206623335 960669198 /nfs/dbraw/zinc/66/91/98/960669198.db2.gz LFTSXVZAHQKLJH-GFCCVEGCSA-N 2 1 244.342 1.514 20 30 BDEDMP C=CC[N@H+]1CCC[C@H]1CNc1cc[nH+]c(N)n1 ZINC001160954211 964453232 /nfs/dbraw/zinc/45/32/32/964453232.db2.gz RGCPSOMNEHYGSK-JTQLQIEISA-N 2 1 233.319 1.121 20 30 BDEDMP C=CC[N@@H+]1CCC[C@H]1CNc1cc[nH+]c(N)n1 ZINC001160954211 964453247 /nfs/dbraw/zinc/45/32/47/964453247.db2.gz RGCPSOMNEHYGSK-JTQLQIEISA-N 2 1 233.319 1.121 20 30 BDEDMP C=CCn1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC001205101680 967343526 /nfs/dbraw/zinc/34/35/26/967343526.db2.gz IWQCUBAHZNUWIV-ZDUSSCGKSA-N 2 1 234.347 1.382 20 30 BDEDMP C=CCn1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC001205101680 967343534 /nfs/dbraw/zinc/34/35/34/967343534.db2.gz IWQCUBAHZNUWIV-ZDUSSCGKSA-N 2 1 234.347 1.382 20 30 BDEDMP C#CCCC[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545656 967691417 /nfs/dbraw/zinc/69/14/17/967691417.db2.gz LFDIDLUQYKCDKS-LBPRGKRZSA-N 2 1 212.312 1.553 20 30 BDEDMP C=CCNCC[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206296074 968203666 /nfs/dbraw/zinc/20/36/66/968203666.db2.gz PFIZENOACCBAFU-ZDUSSCGKSA-N 2 1 225.380 1.213 20 30 BDEDMP C=CCNCC[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206296074 968203674 /nfs/dbraw/zinc/20/36/74/968203674.db2.gz PFIZENOACCBAFU-ZDUSSCGKSA-N 2 1 225.380 1.213 20 30 BDEDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2[nH]ccc2C#N)CC1 ZINC001206318475 968226238 /nfs/dbraw/zinc/22/62/38/968226238.db2.gz QASYPOQVFWROGS-AWEZNQCLSA-N 2 1 246.358 1.837 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2[nH]ccc2C#N)CCC[C@H]1C[NH3+] ZINC001206012311 969695155 /nfs/dbraw/zinc/69/51/55/969695155.db2.gz KFFFYYKJUROQHL-RYUDHWBXSA-N 2 1 246.358 1.693 20 30 BDEDMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001254644232 969759445 /nfs/dbraw/zinc/75/94/45/969759445.db2.gz WBRJIOZGMZGPIW-FRRDWIJNSA-N 2 1 221.348 1.753 20 30 BDEDMP Cc1ccc(C(=[NH2+])N[C@H]2CC[N@@H+](C)C2)cc1C ZINC001255428628 970154937 /nfs/dbraw/zinc/15/49/37/970154937.db2.gz ZBVVGFJHVYYIIR-ZDUSSCGKSA-N 2 1 231.343 1.713 20 30 BDEDMP Cc1ccc(C(=[NH2+])N[C@H]2CC[N@H+](C)C2)cc1C ZINC001255428628 970154941 /nfs/dbraw/zinc/15/49/41/970154941.db2.gz ZBVVGFJHVYYIIR-ZDUSSCGKSA-N 2 1 231.343 1.713 20 30 BDEDMP C=C[C@@H](CO)[NH2+][C@H](C)CC[NH+](CC)CC ZINC001255947993 970581620 /nfs/dbraw/zinc/58/16/20/970581620.db2.gz CAQLMHAQWYVJLG-NEPJUHHUSA-N 2 1 214.353 1.243 20 30 BDEDMP N#CC1CCC([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246594709 973006008 /nfs/dbraw/zinc/00/60/08/973006008.db2.gz XCTIXCKWNLMLKL-TUUUFIMRSA-N 2 1 239.338 1.830 20 30 BDEDMP N#CC1CCC([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246594709 973006023 /nfs/dbraw/zinc/00/60/23/973006023.db2.gz XCTIXCKWNLMLKL-TUUUFIMRSA-N 2 1 239.338 1.830 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246635067 973046878 /nfs/dbraw/zinc/04/68/78/973046878.db2.gz PZAZJCKMKXZXED-WISYIIOYSA-N 2 1 205.305 1.115 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246635067 973046892 /nfs/dbraw/zinc/04/68/92/973046892.db2.gz PZAZJCKMKXZXED-WISYIIOYSA-N 2 1 205.305 1.115 20 30 BDEDMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1C#N ZINC000234996319 973795462 /nfs/dbraw/zinc/79/54/62/973795462.db2.gz GESPZJPJETYLHH-LBPRGKRZSA-N 2 1 245.326 1.347 20 30 BDEDMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1C#N ZINC000234996319 973795470 /nfs/dbraw/zinc/79/54/70/973795470.db2.gz GESPZJPJETYLHH-LBPRGKRZSA-N 2 1 245.326 1.347 20 30 BDEDMP C=CCCC[NH2+]CCNC(=O)C[N@H+](C)CCC ZINC001148642676 973873573 /nfs/dbraw/zinc/87/35/73/973873573.db2.gz KLLGZTHRYGOPKW-UHFFFAOYSA-N 2 1 241.379 1.000 20 30 BDEDMP C[C@H](C[NH3+])C[N@@H+](C)C1CCC(C)(C#N)CC1 ZINC001173590476 975438422 /nfs/dbraw/zinc/43/84/22/975438422.db2.gz JZJMOXWMASCISF-PNESKVBLSA-N 2 1 223.364 1.985 20 30 BDEDMP C[N@@H+](Cc1[nH]ccc1C#N)CC1CC[NH+](C)CC1 ZINC001233045141 978423654 /nfs/dbraw/zinc/42/36/54/978423654.db2.gz PSVRVIAKTGAJEG-UHFFFAOYSA-N 2 1 246.358 1.660 20 30 BDEDMP C[N@H+](Cc1[nH]ccc1C#N)CC1CC[NH+](C)CC1 ZINC001233045141 978423662 /nfs/dbraw/zinc/42/36/62/978423662.db2.gz PSVRVIAKTGAJEG-UHFFFAOYSA-N 2 1 246.358 1.660 20 30 BDEDMP CCCCCCCC[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206454444 979130941 /nfs/dbraw/zinc/13/09/41/979130941.db2.gz DZZFHSQGXHQUNX-QWHCGFSZSA-N 2 1 228.380 1.598 20 30 BDEDMP C#CCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237384824 979882519 /nfs/dbraw/zinc/88/25/19/979882519.db2.gz YVKOWKCKWARSMD-QWHCGFSZSA-N 2 1 206.333 1.474 20 30 BDEDMP C[C@@H]1CC[N@@H+](Cc2[nH]ccc2C#N)CC[C@@H]1C[NH3+] ZINC001205638062 981374775 /nfs/dbraw/zinc/37/47/75/981374775.db2.gz KVNFMZUYSTVTAH-VXGBXAGGSA-N 2 1 246.358 1.693 20 30 BDEDMP C=CCNC(=[NH2+])NC[C@H]1CCC[N@H+](CC)C1 ZINC001326940109 984829763 /nfs/dbraw/zinc/82/97/63/984829763.db2.gz ADLLBKZUUFHLJJ-LLVKDONJSA-N 2 1 224.352 1.018 20 30 BDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C[NH3+] ZINC001579440535 985925742 /nfs/dbraw/zinc/92/57/42/985925742.db2.gz JBWXBZCQNXCIST-NXEZZACHSA-N 2 1 235.356 1.646 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C[NH3+] ZINC001579440535 985925758 /nfs/dbraw/zinc/92/57/58/985925758.db2.gz JBWXBZCQNXCIST-NXEZZACHSA-N 2 1 235.356 1.646 20 30 BDEDMP C=CCC[C@H](C)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001258719866 986049630 /nfs/dbraw/zinc/04/96/30/986049630.db2.gz LIHFXLSQAQRPEM-WDEREUQCSA-N 2 1 223.320 1.272 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cnccc1C ZINC000383054473 986368374 /nfs/dbraw/zinc/36/83/74/986368374.db2.gz LUVYVMBZZCHZPC-UHFFFAOYSA-N 2 1 231.343 1.435 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cnccc1C ZINC000383054473 986368382 /nfs/dbraw/zinc/36/83/82/986368382.db2.gz LUVYVMBZZCHZPC-UHFFFAOYSA-N 2 1 231.343 1.435 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H](C)SC1 ZINC000689410694 986584585 /nfs/dbraw/zinc/58/45/85/986584585.db2.gz JKVZSPZPQHUHEO-STQMWFEESA-N 2 1 240.416 1.815 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@H](C)SC1 ZINC000689410694 986584605 /nfs/dbraw/zinc/58/46/05/986584605.db2.gz JKVZSPZPQHUHEO-STQMWFEESA-N 2 1 240.416 1.815 20 30 BDEDMP CC[C@H](CC#N)[NH2+]Cc1ccccc1C[NH3+] ZINC001255159550 986832402 /nfs/dbraw/zinc/83/24/02/986832402.db2.gz XQJJCTJJGCGAQF-CYBMUJFWSA-N 2 1 217.316 1.927 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246019464 987305340 /nfs/dbraw/zinc/30/53/40/987305340.db2.gz FKOUWPFWEXXWRQ-KBPBESRZSA-N 2 1 240.391 1.764 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246019742 987307333 /nfs/dbraw/zinc/30/73/33/987307333.db2.gz JSEDGZWHFCRQGV-QWHCGFSZSA-N 2 1 226.364 1.517 20 30 BDEDMP C[C@@H](CCCC#N)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246083143 987366977 /nfs/dbraw/zinc/36/69/77/987366977.db2.gz DJAOMQCJCZZDQH-SRVKXCTJSA-N 2 1 209.337 1.799 20 30 BDEDMP C[C@H](CCCC#N)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246117867 987462363 /nfs/dbraw/zinc/46/23/63/987462363.db2.gz MJQXTCOVBOAVMY-IJLUTSLNSA-N 2 1 209.337 1.656 20 30 BDEDMP C[C@H]1C[C@@H]([NH2+]Cc2csc(C#N)c2)CC[NH2+]1 ZINC001246398466 987785197 /nfs/dbraw/zinc/78/51/97/987785197.db2.gz VTDWDRNABLLNDU-ONGXEEELSA-N 2 1 235.356 1.850 20 30 BDEDMP CCCCCCC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246579698 988103808 /nfs/dbraw/zinc/10/38/08/988103808.db2.gz GMWGAQMFZOIAKK-RDBSUJKOSA-N 2 1 242.407 1.987 20 30 BDEDMP CC1(C#N)CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001246844701 988553836 /nfs/dbraw/zinc/55/38/36/988553836.db2.gz BQPJVDZVLWUIQH-UHFFFAOYSA-N 2 1 207.321 1.364 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]CCc1ccc(F)cc1 ZINC001119969506 989524422 /nfs/dbraw/zinc/52/44/22/989524422.db2.gz FBVMPOKLHLZVHH-UHFFFAOYSA-N 2 1 248.345 1.913 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]CCc1ccc(F)cc1 ZINC001119969506 989524430 /nfs/dbraw/zinc/52/44/30/989524430.db2.gz FBVMPOKLHLZVHH-UHFFFAOYSA-N 2 1 248.345 1.913 20 30 BDEDMP C=CCC[C@@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OCC ZINC001258718228 991644654 /nfs/dbraw/zinc/64/46/54/991644654.db2.gz KDSUUVYZRNCACW-NEPJUHHUSA-N 2 1 242.363 1.601 20 30 BDEDMP C=C[C@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001262365237 992859780 /nfs/dbraw/zinc/85/97/80/992859780.db2.gz VWDCBCDAMIUQMS-ODWCKFRGSA-N 2 1 224.348 1.402 20 30 BDEDMP C=C[C@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001262365237 992859783 /nfs/dbraw/zinc/85/97/83/992859783.db2.gz VWDCBCDAMIUQMS-ODWCKFRGSA-N 2 1 224.348 1.402 20 30 BDEDMP C#CC[N@H+](CC1CC(C)C1)C1CC[NH2+]CC1 ZINC001574666902 992887361 /nfs/dbraw/zinc/88/73/61/992887361.db2.gz JIBSKSFFHPHVCU-UHFFFAOYSA-N 2 1 220.360 1.720 20 30 BDEDMP C=CCC[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC001308134481 995562408 /nfs/dbraw/zinc/56/24/08/995562408.db2.gz BMOUVWUCLQRSSJ-KBPBESRZSA-N 2 1 240.391 1.730 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]C[C@H]2C[C@H]2C)CC1 ZINC000309148223 136217800 /nfs/dbraw/zinc/21/78/00/136217800.db2.gz VTEPFWNFMIFFBA-VXGBXAGGSA-N 2 1 208.349 1.882 20 30 BDEDMP C[C@H]([NH2+]C[C@H](C#N)CCC#N)C1=CC[N@@H+](C)CC1 ZINC000576510971 365613671 /nfs/dbraw/zinc/61/36/71/365613671.db2.gz BNUWJDIUEOGCTE-STQMWFEESA-N 2 1 246.358 1.670 20 30 BDEDMP C[C@@H](CCC#N)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000602670616 349665909 /nfs/dbraw/zinc/66/59/09/349665909.db2.gz AFESIRMOVIFWDN-UONOGXRCSA-N 2 1 235.375 1.954 20 30 BDEDMP C[C@@H](CCC#N)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000602670616 349665910 /nfs/dbraw/zinc/66/59/10/349665910.db2.gz AFESIRMOVIFWDN-UONOGXRCSA-N 2 1 235.375 1.954 20 30 BDEDMP C[C@@H](CCC#N)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000602670616 349665911 /nfs/dbraw/zinc/66/59/11/349665911.db2.gz AFESIRMOVIFWDN-UONOGXRCSA-N 2 1 235.375 1.954 20 30 BDEDMP C[N@@H+](CCCn1ccnc1)CC1(CC#N)CC1 ZINC000602798682 349739595 /nfs/dbraw/zinc/73/95/95/349739595.db2.gz NTBKBGARATYLAR-UHFFFAOYSA-N 2 1 232.331 1.899 20 30 BDEDMP C[C@H](CCC#N)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602878513 349790165 /nfs/dbraw/zinc/79/01/65/349790165.db2.gz XUFLOKKXBRFLMI-CHWSQXEVSA-N 2 1 239.363 1.067 20 30 BDEDMP C[C@H]1C[C@H]([N@@H+](C)CCOCCC#N)CCN1C ZINC000339010359 136279915 /nfs/dbraw/zinc/27/99/15/136279915.db2.gz LYQQVMQHWCSFIB-QWHCGFSZSA-N 2 1 239.363 1.331 20 30 BDEDMP C[C@H]1C[C@H]([N@H+](C)CCOCCC#N)CC[NH+]1C ZINC000339010359 136279918 /nfs/dbraw/zinc/27/99/18/136279918.db2.gz LYQQVMQHWCSFIB-QWHCGFSZSA-N 2 1 239.363 1.331 20 30 BDEDMP C[C@H]1C[C@H]([N@@H+](C)CCOCCC#N)CC[NH+]1C ZINC000339010359 136279919 /nfs/dbraw/zinc/27/99/19/136279919.db2.gz LYQQVMQHWCSFIB-QWHCGFSZSA-N 2 1 239.363 1.331 20 30 BDEDMP C=CCOCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000339010361 136279977 /nfs/dbraw/zinc/27/99/77/136279977.db2.gz LYVXWSYXKSCXBJ-UHFFFAOYSA-N 2 1 226.364 1.605 20 30 BDEDMP C=CCOCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000339010361 136279978 /nfs/dbraw/zinc/27/99/78/136279978.db2.gz LYVXWSYXKSCXBJ-UHFFFAOYSA-N 2 1 226.364 1.605 20 30 BDEDMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000127137743 343361318 /nfs/dbraw/zinc/36/13/18/343361318.db2.gz JRDILNPETJYMEW-WCQYABFASA-N 2 1 229.327 1.727 20 30 BDEDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000127137743 343361320 /nfs/dbraw/zinc/36/13/20/343361320.db2.gz JRDILNPETJYMEW-WCQYABFASA-N 2 1 229.327 1.727 20 30 BDEDMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602981859 349832567 /nfs/dbraw/zinc/83/25/67/349832567.db2.gz KNJGGQLCSIDRNP-OCCSQVGLSA-N 2 1 246.358 1.977 20 30 BDEDMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602981859 349832572 /nfs/dbraw/zinc/83/25/72/349832572.db2.gz KNJGGQLCSIDRNP-OCCSQVGLSA-N 2 1 246.358 1.977 20 30 BDEDMP C=CCSCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000129346308 344213014 /nfs/dbraw/zinc/21/30/14/344213014.db2.gz WVFKNJNGFQMWOL-NEPJUHHUSA-N 2 1 228.405 1.835 20 30 BDEDMP N#Cc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)o1 ZINC000600768874 344370025 /nfs/dbraw/zinc/37/00/25/344370025.db2.gz HIQPZESEJLINAE-JTQLQIEISA-N 2 1 219.288 1.383 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000378675154 346802011 /nfs/dbraw/zinc/80/20/11/346802011.db2.gz ODPNOHMXKFHTPZ-KBPBESRZSA-N 2 1 220.360 1.720 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000378675154 346802015 /nfs/dbraw/zinc/80/20/15/346802015.db2.gz ODPNOHMXKFHTPZ-KBPBESRZSA-N 2 1 220.360 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000378675156 346802039 /nfs/dbraw/zinc/80/20/39/346802039.db2.gz ODPNOHMXKFHTPZ-UONOGXRCSA-N 2 1 220.360 1.720 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000378675156 346802042 /nfs/dbraw/zinc/80/20/42/346802042.db2.gz ODPNOHMXKFHTPZ-UONOGXRCSA-N 2 1 220.360 1.720 20 30 BDEDMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000310040503 347222601 /nfs/dbraw/zinc/22/26/01/347222601.db2.gz XSWXEHGDFKZIFN-YNEHKIRRSA-N 2 1 223.364 1.999 20 30 BDEDMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000310040503 347222606 /nfs/dbraw/zinc/22/26/06/347222606.db2.gz XSWXEHGDFKZIFN-YNEHKIRRSA-N 2 1 223.364 1.999 20 30 BDEDMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000591580590 347678061 /nfs/dbraw/zinc/67/80/61/347678061.db2.gz AESJCGQLAKBKRH-UWVGGRQHSA-N 2 1 203.289 1.556 20 30 BDEDMP N#CCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594501978 348064011 /nfs/dbraw/zinc/06/40/11/348064011.db2.gz WTPSULHBOYXPPU-CYBMUJFWSA-N 2 1 237.347 1.133 20 30 BDEDMP C[NH+]1CCC([NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000594955288 348149031 /nfs/dbraw/zinc/14/90/31/348149031.db2.gz MQDAGIGYZGVAPQ-UHFFFAOYSA-N 2 1 243.354 1.785 20 30 BDEDMP C[C@](C[NH3+])([NH2+]CCc1ccc(C#N)cc1)C1CC1 ZINC000595891079 348390010 /nfs/dbraw/zinc/39/00/10/348390010.db2.gz KLDJDDJXFGSYIE-OAHLLOKOSA-N 2 1 243.354 1.818 20 30 BDEDMP C[C@@]1(C#N)CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000595904596 348396366 /nfs/dbraw/zinc/39/63/66/348396366.db2.gz IDGUICJOQZHHRW-ZDUSSCGKSA-N 2 1 221.348 1.612 20 30 BDEDMP C[NH2+]C[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000596653722 348607276 /nfs/dbraw/zinc/60/72/76/348607276.db2.gz CTWVJLDJROKLAX-VOMCLLRMSA-N 2 1 209.337 1.656 20 30 BDEDMP C=CCCC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336659383 350422957 /nfs/dbraw/zinc/42/29/57/350422957.db2.gz NBSZWAOBUKDDMD-ZDUSSCGKSA-N 2 1 226.364 1.340 20 30 BDEDMP C=CCCC[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336659383 350422958 /nfs/dbraw/zinc/42/29/58/350422958.db2.gz NBSZWAOBUKDDMD-ZDUSSCGKSA-N 2 1 226.364 1.340 20 30 BDEDMP C=CCCC[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336659383 350422959 /nfs/dbraw/zinc/42/29/59/350422959.db2.gz NBSZWAOBUKDDMD-ZDUSSCGKSA-N 2 1 226.364 1.340 20 30 BDEDMP C=CCCC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336659383 350422960 /nfs/dbraw/zinc/42/29/60/350422960.db2.gz NBSZWAOBUKDDMD-ZDUSSCGKSA-N 2 1 226.364 1.340 20 30 BDEDMP C#CC[NH+](CC#C)CCCCn1cc[nH+]c1C ZINC000124811413 353170679 /nfs/dbraw/zinc/17/06/79/353170679.db2.gz MLHSAQBNXZSXRG-UHFFFAOYSA-N 2 1 229.327 1.540 20 30 BDEDMP C=CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000350091443 355583841 /nfs/dbraw/zinc/58/38/41/355583841.db2.gz KYZAMOGNHRMGAV-CYBMUJFWSA-N 2 1 208.349 1.836 20 30 BDEDMP C=CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000350091443 355583845 /nfs/dbraw/zinc/58/38/45/355583845.db2.gz KYZAMOGNHRMGAV-CYBMUJFWSA-N 2 1 208.349 1.836 20 30 BDEDMP C=CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000350091443 355583849 /nfs/dbraw/zinc/58/38/49/355583849.db2.gz KYZAMOGNHRMGAV-CYBMUJFWSA-N 2 1 208.349 1.836 20 30 BDEDMP C=CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000350091443 355583852 /nfs/dbraw/zinc/58/38/52/355583852.db2.gz KYZAMOGNHRMGAV-CYBMUJFWSA-N 2 1 208.349 1.836 20 30 BDEDMP C=CCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420320391 192195614 /nfs/dbraw/zinc/19/56/14/192195614.db2.gz BNBJDBMKJPGFLM-STQMWFEESA-N 2 1 208.349 1.884 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]CC2(O)CCC2)CC1 ZINC000582541212 357340597 /nfs/dbraw/zinc/34/05/97/357340597.db2.gz CWWFXAVASORHNZ-UHFFFAOYSA-N 2 1 224.348 1.141 20 30 BDEDMP C=CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1CC1 ZINC000423526000 192803142 /nfs/dbraw/zinc/80/31/42/192803142.db2.gz UUFVDOLNACYUGY-KBPBESRZSA-N 2 1 237.391 1.224 20 30 BDEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000600768161 369562432 /nfs/dbraw/zinc/56/24/32/369562432.db2.gz DGWAWOFNTUFSLE-FZMZJTMJSA-N 2 1 245.326 1.712 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000600768161 369562435 /nfs/dbraw/zinc/56/24/35/369562435.db2.gz DGWAWOFNTUFSLE-FZMZJTMJSA-N 2 1 245.326 1.712 20 30 BDEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000600770095 369565668 /nfs/dbraw/zinc/56/56/68/369565668.db2.gz UPUUIQXYVNXURP-ZLKJLUDKSA-N 2 1 245.326 1.710 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000600770095 369565673 /nfs/dbraw/zinc/56/56/73/369565673.db2.gz UPUUIQXYVNXURP-ZLKJLUDKSA-N 2 1 245.326 1.710 20 30 BDEDMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000173893733 384281594 /nfs/dbraw/zinc/28/15/94/384281594.db2.gz MXTHTZYNJVKCEK-LBPRGKRZSA-N 2 1 241.404 1.517 20 30 BDEDMP C#CC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370577301 384419036 /nfs/dbraw/zinc/41/90/36/384419036.db2.gz FKQQCWWENNYXPY-BFHYXJOUSA-N 2 1 236.359 1.099 20 30 BDEDMP C#CC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370577301 384419041 /nfs/dbraw/zinc/41/90/41/384419041.db2.gz FKQQCWWENNYXPY-BFHYXJOUSA-N 2 1 236.359 1.099 20 30 BDEDMP CNC(=[NH2+])NCCC[N@@H+](C)Cc1ccccc1 ZINC000050165485 384601267 /nfs/dbraw/zinc/60/12/67/384601267.db2.gz NWENUFWJILIGMC-UHFFFAOYSA-N 2 1 234.347 1.043 20 30 BDEDMP C[N@H+](Cc1ccc(C#N)cc1)C1CC([NH3+])C1 ZINC000336233410 385062069 /nfs/dbraw/zinc/06/20/69/385062069.db2.gz HDMDUQBGEPWNAR-UHFFFAOYSA-N 2 1 215.300 1.480 20 30 BDEDMP C[N@@H+](Cc1ccc(C#N)cc1)C1CC([NH3+])C1 ZINC000336233410 385062078 /nfs/dbraw/zinc/06/20/78/385062078.db2.gz HDMDUQBGEPWNAR-UHFFFAOYSA-N 2 1 215.300 1.480 20 30 BDEDMP N#Cc1cccc(C[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000573124074 385465514 /nfs/dbraw/zinc/46/55/14/385465514.db2.gz SPRMGBIXYVTVMC-ZDUSSCGKSA-N 2 1 215.300 1.385 20 30 BDEDMP C=CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975018 386549072 /nfs/dbraw/zinc/54/90/72/386549072.db2.gz HQHVOXJZQQRIRF-OLZOCXBDSA-N 2 1 208.349 1.884 20 30 BDEDMP O=C(NCCN1CCC1)[C@@H]1CCn2cncc2C1 ZINC000328965801 386666265 /nfs/dbraw/zinc/66/62/65/386666265.db2.gz SIAIEPPPLTWZDG-LLVKDONJSA-N 2 1 248.330 1.108 20 30 BDEDMP C=C(CC)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766901 387071868 /nfs/dbraw/zinc/07/18/68/387071868.db2.gz PPVRDGPVJKKFKT-ZDUSSCGKSA-N 2 1 226.364 1.341 20 30 BDEDMP C=C(CC)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766901 387071870 /nfs/dbraw/zinc/07/18/70/387071870.db2.gz PPVRDGPVJKKFKT-ZDUSSCGKSA-N 2 1 226.364 1.341 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)[C@H]1C[C@H]1C ZINC000321888699 387310413 /nfs/dbraw/zinc/31/04/13/387310413.db2.gz KXGDWXHJWJJYHQ-HZSPNIEDSA-N 2 1 222.376 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)[C@H]1C[C@H]1C ZINC000321888699 387310416 /nfs/dbraw/zinc/31/04/16/387310416.db2.gz KXGDWXHJWJJYHQ-HZSPNIEDSA-N 2 1 222.376 1.966 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)C(C)C ZINC000392884397 387295789 /nfs/dbraw/zinc/29/57/89/387295789.db2.gz SYPNLPMOPSJOGN-CYBMUJFWSA-N 2 1 210.365 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)C(C)C ZINC000392884397 387295793 /nfs/dbraw/zinc/29/57/93/387295793.db2.gz SYPNLPMOPSJOGN-CYBMUJFWSA-N 2 1 210.365 1.966 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000327982676 387602994 /nfs/dbraw/zinc/60/29/94/387602994.db2.gz JGPOZCUTZIRRBT-CHWSQXEVSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000327982676 387602995 /nfs/dbraw/zinc/60/29/95/387602995.db2.gz JGPOZCUTZIRRBT-CHWSQXEVSA-N 2 1 224.348 1.099 20 30 BDEDMP C=CCC[C@@H](CO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423165733 387948492 /nfs/dbraw/zinc/94/84/92/387948492.db2.gz UTSDGQPHKXZYSG-WOPDTQHZSA-N 2 1 212.337 1.044 20 30 BDEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424330746 387975598 /nfs/dbraw/zinc/97/55/98/387975598.db2.gz RALZAIPUQLRRMF-RKQHYHRCSA-N 2 1 235.375 1.997 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000451611830 388284150 /nfs/dbraw/zinc/28/41/50/388284150.db2.gz XXOJVSBIVLEVHH-UPJWGTAASA-N 2 1 224.348 1.404 20 30 BDEDMP C#C[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000491524625 388301286 /nfs/dbraw/zinc/30/12/86/388301286.db2.gz NGUVZRPRXRDMRU-NSHDSACASA-N 2 1 205.305 1.535 20 30 BDEDMP C#C[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000491524625 388301288 /nfs/dbraw/zinc/30/12/88/388301288.db2.gz NGUVZRPRXRDMRU-NSHDSACASA-N 2 1 205.305 1.535 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000491071178 388268152 /nfs/dbraw/zinc/26/81/52/388268152.db2.gz IJGAPLKSUWBRSP-ZIAGYGMSSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000491071178 388268154 /nfs/dbraw/zinc/26/81/54/388268154.db2.gz IJGAPLKSUWBRSP-ZIAGYGMSSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC(C)(C)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000491209867 388277249 /nfs/dbraw/zinc/27/72/49/388277249.db2.gz MXPFGGIXDSGOKT-GFCCVEGCSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CC(C)(C)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000491209867 388277251 /nfs/dbraw/zinc/27/72/51/388277251.db2.gz MXPFGGIXDSGOKT-GFCCVEGCSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CC(C)(C)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000491209867 388277252 /nfs/dbraw/zinc/27/72/52/388277252.db2.gz MXPFGGIXDSGOKT-GFCCVEGCSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CC(C)(C)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000491209867 388277253 /nfs/dbraw/zinc/27/72/53/388277253.db2.gz MXPFGGIXDSGOKT-GFCCVEGCSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C(C)C)C1CC1 ZINC000393483342 388431416 /nfs/dbraw/zinc/43/14/16/388431416.db2.gz LJZLUXXJNVZFIX-AWEZNQCLSA-N 2 1 222.376 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C(C)C)C1CC1 ZINC000393483342 388431418 /nfs/dbraw/zinc/43/14/18/388431418.db2.gz LJZLUXXJNVZFIX-AWEZNQCLSA-N 2 1 222.376 1.966 20 30 BDEDMP C#CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185719963 388590184 /nfs/dbraw/zinc/59/01/84/388590184.db2.gz KEWRDKDNNXRDPS-QWHCGFSZSA-N 2 1 220.360 1.862 20 30 BDEDMP COc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1C#N ZINC000414781435 388666128 /nfs/dbraw/zinc/66/61/28/388666128.db2.gz MWWZSZMWUSYBAW-UHFFFAOYSA-N 2 1 245.326 1.408 20 30 BDEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000530214777 388629263 /nfs/dbraw/zinc/62/92/63/388629263.db2.gz CTAAIHGXFUMZLP-FRRDWIJNSA-N 2 1 233.359 1.943 20 30 BDEDMP C[NH+](C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000019958660 388753545 /nfs/dbraw/zinc/75/35/45/388753545.db2.gz GNLHTTDHAJWGDH-UHFFFAOYSA-N 2 1 217.316 1.600 20 30 BDEDMP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)C1C[NH2+]C1 ZINC000423158760 388687829 /nfs/dbraw/zinc/68/78/29/388687829.db2.gz DEXBTCSAHFDALI-SECBINFHSA-N 2 1 233.290 1.395 20 30 BDEDMP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C[NH3+])C1CC1)CC2 ZINC000423284167 388689066 /nfs/dbraw/zinc/68/90/66/388689066.db2.gz WLNQMVDYLPUVFH-CABCVRRESA-N 2 1 241.338 1.872 20 30 BDEDMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cccc(C#N)c1 ZINC000423287938 388689247 /nfs/dbraw/zinc/68/92/47/388689247.db2.gz PNJWDDLMNVDUKY-JTQLQIEISA-N 2 1 217.316 1.946 20 30 BDEDMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423270919 388689783 /nfs/dbraw/zinc/68/97/83/388689783.db2.gz GYBWRRIIRMTZMJ-HZMBPMFUSA-N 2 1 229.327 1.946 20 30 BDEDMP C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@H](C)[NH3+] ZINC000423478971 388693173 /nfs/dbraw/zinc/69/31/73/388693173.db2.gz UYODFRKGRHBSDE-IMSIIYSGSA-N 2 1 229.327 1.871 20 30 BDEDMP C=CC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000249420404 388720167 /nfs/dbraw/zinc/72/01/67/388720167.db2.gz HLSNXKBLSOCKJT-UONOGXRCSA-N 2 1 240.391 1.899 20 30 BDEDMP C[C@H]1CCCC[N@H+]1CCNC(=[NH2+])NC(C)(C)C ZINC000104168138 134159259 /nfs/dbraw/zinc/15/92/59/134159259.db2.gz BZYWYHZRMQCIDJ-NSHDSACASA-N 2 1 240.395 1.564 20 30 BDEDMP CC#CCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368314907 134218020 /nfs/dbraw/zinc/21/80/20/134218020.db2.gz HWICAAIPHZCTOK-CYBMUJFWSA-N 2 1 206.333 1.427 20 30 BDEDMP CC#CCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368314907 134218021 /nfs/dbraw/zinc/21/80/21/134218021.db2.gz HWICAAIPHZCTOK-CYBMUJFWSA-N 2 1 206.333 1.427 20 30 BDEDMP CC#CCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368314907 134218022 /nfs/dbraw/zinc/21/80/22/134218022.db2.gz HWICAAIPHZCTOK-CYBMUJFWSA-N 2 1 206.333 1.427 20 30 BDEDMP C=CCOCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000339156027 135062407 /nfs/dbraw/zinc/06/24/07/135062407.db2.gz TXLUPSQCIXAISB-UHFFFAOYSA-N 2 1 226.364 1.607 20 30 BDEDMP C=CCOCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000339156027 135062408 /nfs/dbraw/zinc/06/24/08/135062408.db2.gz TXLUPSQCIXAISB-UHFFFAOYSA-N 2 1 226.364 1.607 20 30 BDEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCC#N ZINC000252710572 135099620 /nfs/dbraw/zinc/09/96/20/135099620.db2.gz HBMAPUYHQWDPPW-VXGBXAGGSA-N 2 1 209.337 1.610 20 30 BDEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000253237526 135124662 /nfs/dbraw/zinc/12/46/62/135124662.db2.gz FOKZKBBPXHVTEY-VXGBXAGGSA-N 2 1 221.348 1.610 20 30 BDEDMP COc1ccc(NC(=[NH2+])NCC[NH+]2CCC2)cc1 ZINC000262808654 135319078 /nfs/dbraw/zinc/31/90/78/135319078.db2.gz UINMNZNRIYPZIF-UHFFFAOYSA-N 2 1 248.330 1.128 20 30 BDEDMP CC(C)CNC(=[NH2+])NCC[N@H+]1CCCC1(C)C ZINC000263091368 135331895 /nfs/dbraw/zinc/33/18/95/135331895.db2.gz IVVSGYXFJIBXRC-UHFFFAOYSA-N 2 1 240.395 1.421 20 30 BDEDMP CC#CCN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334421450 135399968 /nfs/dbraw/zinc/39/99/68/135399968.db2.gz UCISTVPKCIRBQA-ZDUSSCGKSA-N 2 1 206.333 1.427 20 30 BDEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334421450 135399969 /nfs/dbraw/zinc/39/99/69/135399969.db2.gz UCISTVPKCIRBQA-ZDUSSCGKSA-N 2 1 206.333 1.427 20 30 BDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334421450 135399971 /nfs/dbraw/zinc/39/99/71/135399971.db2.gz UCISTVPKCIRBQA-ZDUSSCGKSA-N 2 1 206.333 1.427 20 30 BDEDMP CC#CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335566904 136107703 /nfs/dbraw/zinc/10/77/03/136107703.db2.gz LWXFQNDJRYOPAM-FUNVUKJBSA-N 2 1 206.333 1.567 20 30 BDEDMP CC#CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335566904 136107704 /nfs/dbraw/zinc/10/77/04/136107704.db2.gz LWXFQNDJRYOPAM-FUNVUKJBSA-N 2 1 206.333 1.567 20 30 BDEDMP CC#CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000335566904 136107705 /nfs/dbraw/zinc/10/77/05/136107705.db2.gz LWXFQNDJRYOPAM-FUNVUKJBSA-N 2 1 206.333 1.567 20 30 BDEDMP CC#CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000335566904 136107706 /nfs/dbraw/zinc/10/77/06/136107706.db2.gz LWXFQNDJRYOPAM-FUNVUKJBSA-N 2 1 206.333 1.567 20 30 BDEDMP C#CCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000363467364 398121002 /nfs/dbraw/zinc/12/10/02/398121002.db2.gz JMRKCIZCENPRCZ-UHFFFAOYSA-N 2 1 231.343 1.698 20 30 BDEDMP C=CC[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345569 411209271 /nfs/dbraw/zinc/20/92/71/411209271.db2.gz GBHPYJUEAVGVKT-RWMBFGLXSA-N 2 1 224.348 1.391 20 30 BDEDMP C=C[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655722504 411295253 /nfs/dbraw/zinc/29/52/53/411295253.db2.gz CHJHKLUJJKRJQI-JSGCOSHPSA-N 2 1 238.375 1.794 20 30 BDEDMP C=CC[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000661380175 411763209 /nfs/dbraw/zinc/76/32/09/411763209.db2.gz BSHIWLWFFATOPY-ZIAGYGMSSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000661380175 411763211 /nfs/dbraw/zinc/76/32/11/411763211.db2.gz BSHIWLWFFATOPY-ZIAGYGMSSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000661380175 411763213 /nfs/dbraw/zinc/76/32/13/411763213.db2.gz BSHIWLWFFATOPY-ZIAGYGMSSA-N 2 1 240.391 1.587 20 30 BDEDMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)C[N@@H+](C)CC ZINC000662091435 411985757 /nfs/dbraw/zinc/98/57/57/411985757.db2.gz XXWPWWFKHUTBSD-HZSPNIEDSA-N 2 1 238.375 1.482 20 30 BDEDMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)C[N@H+](C)CC ZINC000662091435 411985762 /nfs/dbraw/zinc/98/57/62/411985762.db2.gz XXWPWWFKHUTBSD-HZSPNIEDSA-N 2 1 238.375 1.482 20 30 BDEDMP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)C[NH+](C)CC ZINC000662091435 411985764 /nfs/dbraw/zinc/98/57/64/411985764.db2.gz XXWPWWFKHUTBSD-HZSPNIEDSA-N 2 1 238.375 1.482 20 30 BDEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)C[NH+](C)CC ZINC000662091435 411985767 /nfs/dbraw/zinc/98/57/67/411985767.db2.gz XXWPWWFKHUTBSD-HZSPNIEDSA-N 2 1 238.375 1.482 20 30 BDEDMP C=CCCC[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254264 412049038 /nfs/dbraw/zinc/04/90/38/412049038.db2.gz GNFVERNUFDUWCX-LBPRGKRZSA-N 2 1 224.348 1.405 20 30 BDEDMP C=CCOCCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000665263413 412205874 /nfs/dbraw/zinc/20/58/74/412205874.db2.gz LWBYODRSVHSIMI-NSHDSACASA-N 2 1 235.331 1.737 20 30 BDEDMP C(#CC[N@H+]1CC=CCC1)C[NH+]1CC=CCC1 ZINC000671242889 487877556 /nfs/dbraw/zinc/87/75/56/487877556.db2.gz TWEIZPSRXQRYQS-UHFFFAOYSA-N 2 1 216.328 1.514 20 30 BDEDMP C(#CC[N@@H+]1CC=CCC1)C[NH+]1CC=CCC1 ZINC000671242889 487877559 /nfs/dbraw/zinc/87/75/59/487877559.db2.gz TWEIZPSRXQRYQS-UHFFFAOYSA-N 2 1 216.328 1.514 20 30 BDEDMP N#Cc1csc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000569743526 323039559 /nfs/dbraw/zinc/03/95/59/323039559.db2.gz LHVLUIKPDPPRQL-UHFFFAOYSA-N 2 1 235.356 1.805 20 30 BDEDMP C=CCC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000320808213 323183885 /nfs/dbraw/zinc/18/38/85/323183885.db2.gz WTLOWAZTDSTDBM-FRRDWIJNSA-N 2 1 226.364 1.386 20 30 BDEDMP C=CCC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000320808213 323183886 /nfs/dbraw/zinc/18/38/86/323183886.db2.gz WTLOWAZTDSTDBM-FRRDWIJNSA-N 2 1 226.364 1.386 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000153021444 325868824 /nfs/dbraw/zinc/86/88/24/325868824.db2.gz NMVQPMCITOVNKI-CQSZACIVSA-N 2 1 238.375 1.796 20 30 BDEDMP CC[C@@H](CC#N)[NH2+]CCCc1c[nH+]cn1C ZINC000568181666 326321765 /nfs/dbraw/zinc/32/17/65/326321765.db2.gz ZRJDYWLTIGWSIO-NSHDSACASA-N 2 1 220.320 1.635 20 30 BDEDMP C=CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)COC ZINC000662299866 487547364 /nfs/dbraw/zinc/54/73/64/487547364.db2.gz YPAIEVQXIFIAGE-VXGBXAGGSA-N 2 1 212.337 1.119 20 30 BDEDMP CNC(=[NH2+])NCc1ccccc1C[N@@H+](C)C(C)C ZINC000264128611 536305218 /nfs/dbraw/zinc/30/52/18/536305218.db2.gz STFNQKBYUUQTPA-UHFFFAOYSA-N 2 1 248.374 1.561 20 30 BDEDMP C=CCOCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000339032641 534878170 /nfs/dbraw/zinc/87/81/70/534878170.db2.gz MRLXHKOKAWTOJE-UHFFFAOYSA-N 2 1 226.364 1.651 20 30 BDEDMP C=CCOCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000339210737 534879606 /nfs/dbraw/zinc/87/96/06/534879606.db2.gz DXDQPVAKTURJOJ-CYBMUJFWSA-N 2 1 224.348 1.217 20 30 BDEDMP C=CCOCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000339210737 534879610 /nfs/dbraw/zinc/87/96/10/534879610.db2.gz DXDQPVAKTURJOJ-CYBMUJFWSA-N 2 1 224.348 1.217 20 30 BDEDMP C=CCOCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000339210737 534879613 /nfs/dbraw/zinc/87/96/13/534879613.db2.gz DXDQPVAKTURJOJ-CYBMUJFWSA-N 2 1 224.348 1.217 20 30 BDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCC1 ZINC000262335165 535550242 /nfs/dbraw/zinc/55/02/42/535550242.db2.gz SBDJWOROZYPYEN-GFCCVEGCSA-N 2 1 238.379 1.175 20 30 BDEDMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCC#N)C2)C1 ZINC000335904285 536381480 /nfs/dbraw/zinc/38/14/80/536381480.db2.gz AJSQLUQCMFIPEG-CYBMUJFWSA-N 2 1 221.348 1.708 20 30 BDEDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCC#N)C2)C1 ZINC000335904285 536381483 /nfs/dbraw/zinc/38/14/83/536381483.db2.gz AJSQLUQCMFIPEG-CYBMUJFWSA-N 2 1 221.348 1.708 20 30 BDEDMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCC#N)C2)C1 ZINC000335904285 536381486 /nfs/dbraw/zinc/38/14/86/536381486.db2.gz AJSQLUQCMFIPEG-CYBMUJFWSA-N 2 1 221.348 1.708 20 30 BDEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCC#N)C2)C1 ZINC000335904285 536381487 /nfs/dbraw/zinc/38/14/87/536381487.db2.gz AJSQLUQCMFIPEG-CYBMUJFWSA-N 2 1 221.348 1.708 20 30 BDEDMP C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)C[C@H]1[NH3+] ZINC000903453725 584772617 /nfs/dbraw/zinc/77/26/17/584772617.db2.gz JWRXJJCZZJEHCR-IKWCTNDRSA-N 2 1 221.348 1.595 20 30 BDEDMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CC1CCC(C#N)CC1 ZINC000903476918 584777345 /nfs/dbraw/zinc/77/73/45/584777345.db2.gz NPLLZMIVMHJPGM-IKWCTNDRSA-N 2 1 221.348 1.738 20 30 BDEDMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CC1CCC(C#N)CC1 ZINC000903476918 584777346 /nfs/dbraw/zinc/77/73/46/584777346.db2.gz NPLLZMIVMHJPGM-IKWCTNDRSA-N 2 1 221.348 1.738 20 30 BDEDMP C=CC[N@@H+](C[C@H]1CCCC[NH2+]C1)[C@@H](C)COC ZINC000903766948 584797377 /nfs/dbraw/zinc/79/73/77/584797377.db2.gz DINSAOQWMFIWCJ-KBPBESRZSA-N 2 1 240.391 1.899 20 30 BDEDMP C#CCCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000766917397 585511420 /nfs/dbraw/zinc/51/14/20/585511420.db2.gz HERHSQMFIRMKCL-OAHLLOKOSA-N 2 1 249.402 1.112 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000815652550 586690889 /nfs/dbraw/zinc/69/08/89/586690889.db2.gz HVHWNHGOLGZOIS-UONOGXRCSA-N 2 1 233.359 1.613 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000815652550 586690890 /nfs/dbraw/zinc/69/08/90/586690890.db2.gz HVHWNHGOLGZOIS-UONOGXRCSA-N 2 1 233.359 1.613 20 30 BDEDMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000817966546 586854611 /nfs/dbraw/zinc/85/46/11/586854611.db2.gz PXNKQAHXIMGBKM-GHMZBOCLSA-N 2 1 233.315 1.587 20 30 BDEDMP C#C[C@@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC000847022073 588302745 /nfs/dbraw/zinc/30/27/45/588302745.db2.gz RVTUPIGDSLFGKR-CYBMUJFWSA-N 2 1 217.316 1.618 20 30 BDEDMP C#C[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000847021113 588302753 /nfs/dbraw/zinc/30/27/53/588302753.db2.gz JAYTZPIHERZPDG-CQSZACIVSA-N 2 1 231.343 1.927 20 30 BDEDMP C#C[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000847021113 588302754 /nfs/dbraw/zinc/30/27/54/588302754.db2.gz JAYTZPIHERZPDG-CQSZACIVSA-N 2 1 231.343 1.927 20 30 BDEDMP C=CC[N@@H+](C[C@H](O)CN1CCCC1)C(C)(C)C ZINC000852553745 588689583 /nfs/dbraw/zinc/68/95/83/588689583.db2.gz VDXFVLOYJIHHJN-CYBMUJFWSA-N 2 1 240.391 1.730 20 30 BDEDMP C=CC[N@H+](C[C@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000852553745 588689584 /nfs/dbraw/zinc/68/95/84/588689584.db2.gz VDXFVLOYJIHHJN-CYBMUJFWSA-N 2 1 240.391 1.730 20 30 BDEDMP C#C[C@@H](CC)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000862362794 589201910 /nfs/dbraw/zinc/20/19/10/589201910.db2.gz GCIPOWHENWAWPM-RYUDHWBXSA-N 2 1 208.349 1.861 20 30 BDEDMP C#C[C@@H](CC)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000862362794 589201912 /nfs/dbraw/zinc/20/19/12/589201912.db2.gz GCIPOWHENWAWPM-RYUDHWBXSA-N 2 1 208.349 1.861 20 30 BDEDMP C#CCCCON=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784346 589818491 /nfs/dbraw/zinc/81/84/91/589818491.db2.gz BEDBFFOQPPVSDI-YHWZYXNKSA-N 2 1 249.358 1.771 20 30 BDEDMP C#CCCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784346 589818492 /nfs/dbraw/zinc/81/84/92/589818492.db2.gz BEDBFFOQPPVSDI-YHWZYXNKSA-N 2 1 249.358 1.771 20 30 BDEDMP C#CCCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784346 589818495 /nfs/dbraw/zinc/81/84/95/589818495.db2.gz BEDBFFOQPPVSDI-YHWZYXNKSA-N 2 1 249.358 1.771 20 30 BDEDMP C[N@@H+]1CC[C@@H]2C[NH+](CCCC#N)CC[C@@H]21 ZINC000879572012 590808640 /nfs/dbraw/zinc/80/86/40/590808640.db2.gz MYDSDLXQEPOAIH-NEPJUHHUSA-N 2 1 207.321 1.316 20 30 BDEDMP C[N@H+]1CC[C@@H]2C[NH+](CCCC#N)CC[C@@H]21 ZINC000879572012 590808643 /nfs/dbraw/zinc/80/86/43/590808643.db2.gz MYDSDLXQEPOAIH-NEPJUHHUSA-N 2 1 207.321 1.316 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@H+](CCCC#N)CC[C@@H]21 ZINC000879572012 590808649 /nfs/dbraw/zinc/80/86/49/590808649.db2.gz MYDSDLXQEPOAIH-NEPJUHHUSA-N 2 1 207.321 1.316 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCCC#N)CC[C@@H]21 ZINC000879572012 590808653 /nfs/dbraw/zinc/80/86/53/590808653.db2.gz MYDSDLXQEPOAIH-NEPJUHHUSA-N 2 1 207.321 1.316 20 30 BDEDMP C[N@@H+]1CC[C@H]2C[NH+](CCC(C)(C)C#N)CC[C@H]21 ZINC000879577453 590813231 /nfs/dbraw/zinc/81/32/31/590813231.db2.gz IULWCRQJLHICHZ-QWHCGFSZSA-N 2 1 235.375 1.952 20 30 BDEDMP C[N@H+]1CC[C@H]2C[NH+](CCC(C)(C)C#N)CC[C@H]21 ZINC000879577453 590813233 /nfs/dbraw/zinc/81/32/33/590813233.db2.gz IULWCRQJLHICHZ-QWHCGFSZSA-N 2 1 235.375 1.952 20 30 BDEDMP C[NH+]1CC[C@H]2C[N@H+](CCC(C)(C)C#N)CC[C@H]21 ZINC000879577453 590813237 /nfs/dbraw/zinc/81/32/37/590813237.db2.gz IULWCRQJLHICHZ-QWHCGFSZSA-N 2 1 235.375 1.952 20 30 BDEDMP C[NH+]1CC[C@H]2C[N@@H+](CCC(C)(C)C#N)CC[C@H]21 ZINC000879577453 590813240 /nfs/dbraw/zinc/81/32/40/590813240.db2.gz IULWCRQJLHICHZ-QWHCGFSZSA-N 2 1 235.375 1.952 20 30 BDEDMP C[N@@H+]1CC[C@H]2C[NH+](CC3(CC#N)CC3)CC[C@@H]21 ZINC000879578045 590814533 /nfs/dbraw/zinc/81/45/33/590814533.db2.gz AGXNASIUJAUYHS-STQMWFEESA-N 2 1 233.359 1.706 20 30 BDEDMP C[N@H+]1CC[C@H]2C[NH+](CC3(CC#N)CC3)CC[C@@H]21 ZINC000879578045 590814535 /nfs/dbraw/zinc/81/45/35/590814535.db2.gz AGXNASIUJAUYHS-STQMWFEESA-N 2 1 233.359 1.706 20 30 BDEDMP C[NH+]1CC[C@H]2C[N@H+](CC3(CC#N)CC3)CC[C@@H]21 ZINC000879578045 590814538 /nfs/dbraw/zinc/81/45/38/590814538.db2.gz AGXNASIUJAUYHS-STQMWFEESA-N 2 1 233.359 1.706 20 30 BDEDMP C[NH+]1CC[C@H]2C[N@@H+](CC3(CC#N)CC3)CC[C@@H]21 ZINC000879578045 590814540 /nfs/dbraw/zinc/81/45/40/590814540.db2.gz AGXNASIUJAUYHS-STQMWFEESA-N 2 1 233.359 1.706 20 30 BDEDMP C=C(C)C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000883393098 591645233 /nfs/dbraw/zinc/64/52/33/591645233.db2.gz VWCCGRWGZMETEB-OLZOCXBDSA-N 2 1 240.391 1.776 20 30 BDEDMP CC#CC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132506 592448464 /nfs/dbraw/zinc/44/84/64/592448464.db2.gz HIYPJGQHWXZQRQ-CYBMUJFWSA-N 2 1 229.327 1.615 20 30 BDEDMP CC#CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132506 592448466 /nfs/dbraw/zinc/44/84/66/592448466.db2.gz HIYPJGQHWXZQRQ-CYBMUJFWSA-N 2 1 229.327 1.615 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000328027705 633213873 /nfs/dbraw/zinc/21/38/73/633213873.db2.gz UQSPZAKZNRNKMV-ZDUSSCGKSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000328027705 633213876 /nfs/dbraw/zinc/21/38/76/633213876.db2.gz UQSPZAKZNRNKMV-ZDUSSCGKSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccn(C)c1 ZINC000328293528 633753205 /nfs/dbraw/zinc/75/32/05/633753205.db2.gz SECPXWFXDNGZBZ-UHFFFAOYSA-N 2 1 219.332 1.070 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccn(C)c1 ZINC000328293528 633753222 /nfs/dbraw/zinc/75/32/22/633753222.db2.gz SECPXWFXDNGZBZ-UHFFFAOYSA-N 2 1 219.332 1.070 20 30 BDEDMP C#CCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000308896419 633827285 /nfs/dbraw/zinc/82/72/85/633827285.db2.gz IZHQNVHVTGUJGQ-ZDUSSCGKSA-N 2 1 206.333 1.427 20 30 BDEDMP C#CCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000308896419 633827292 /nfs/dbraw/zinc/82/72/92/633827292.db2.gz IZHQNVHVTGUJGQ-ZDUSSCGKSA-N 2 1 206.333 1.427 20 30 BDEDMP C#CCCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000308896419 633827298 /nfs/dbraw/zinc/82/72/98/633827298.db2.gz IZHQNVHVTGUJGQ-ZDUSSCGKSA-N 2 1 206.333 1.427 20 30 BDEDMP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 ZINC000303987740 636319970 /nfs/dbraw/zinc/31/99/70/636319970.db2.gz JLGXJUKTEZGXKP-QWRGUYRKSA-N 2 1 226.368 1.031 20 30 BDEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])NCC1CCC1 ZINC000303982503 636321163 /nfs/dbraw/zinc/32/11/63/636321163.db2.gz QEDVGERKSXDAPD-LLVKDONJSA-N 2 1 240.395 1.421 20 30 BDEDMP C=C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903204239 637354665 /nfs/dbraw/zinc/35/46/65/637354665.db2.gz SAINZHAWPGIURD-WDFAYWTNSA-N 2 1 236.359 1.281 20 30 BDEDMP CC(C)[NH+]=C(NC[C@@H](C)[NH+](C)C)NC(C)(C)C ZINC000912509624 640101443 /nfs/dbraw/zinc/10/14/43/640101443.db2.gz MCKSQOMBZNKWLS-LLVKDONJSA-N 2 1 242.411 1.679 20 30 BDEDMP C=CCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931312404 640147895 /nfs/dbraw/zinc/14/78/95/640147895.db2.gz XAYMWEWIJUXSSL-STQMWFEESA-N 2 1 208.349 1.836 20 30 BDEDMP C[NH+]1C[C@]2(C)C[NH+]([C@@H]3CC[C@H](C#N)C3)C[C@@]2(C)C1 ZINC000931314020 640150598 /nfs/dbraw/zinc/15/05/98/640150598.db2.gz IKCVHPCHFLKZCP-GBJTYRQASA-N 2 1 247.386 1.952 20 30 BDEDMP C=CCCC[N@H+](CC)C[C@@H](O)CN(C)CC ZINC000934644585 641229791 /nfs/dbraw/zinc/22/97/91/641229791.db2.gz FYAYRTDVWBJFFF-ZDUSSCGKSA-N 2 1 228.380 1.587 20 30 BDEDMP C=CCCC[NH+](CC)C[C@@H](O)C[N@@H+](C)CC ZINC000934644585 641229794 /nfs/dbraw/zinc/22/97/94/641229794.db2.gz FYAYRTDVWBJFFF-ZDUSSCGKSA-N 2 1 228.380 1.587 20 30 BDEDMP C=CCCC[NH+](CC)C[C@@H](O)C[N@H+](C)CC ZINC000934644585 641229801 /nfs/dbraw/zinc/22/98/01/641229801.db2.gz FYAYRTDVWBJFFF-ZDUSSCGKSA-N 2 1 228.380 1.587 20 30 BDEDMP C=CCCC[N@@H+](CC)C[C@@H](O)C[NH+](C)CC ZINC000934644585 641229809 /nfs/dbraw/zinc/22/98/09/641229809.db2.gz FYAYRTDVWBJFFF-ZDUSSCGKSA-N 2 1 228.380 1.587 20 30 BDEDMP C=CCCC[N@H+](CC)C[C@@H](O)C[NH+](C)CC ZINC000934644585 641229815 /nfs/dbraw/zinc/22/98/15/641229815.db2.gz FYAYRTDVWBJFFF-ZDUSSCGKSA-N 2 1 228.380 1.587 20 30 BDEDMP C[C@@H](C[NH2+]Cc1csc(C#N)c1)C[NH+](C)C ZINC000922144283 643871867 /nfs/dbraw/zinc/87/18/67/643871867.db2.gz VUFHGWJDUMUCQE-JTQLQIEISA-N 2 1 237.372 1.907 20 30 BDEDMP C=CCC[C@H](O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000923294779 644331754 /nfs/dbraw/zinc/33/17/54/644331754.db2.gz PMGBRJNGMOSBNE-QWHCGFSZSA-N 2 1 228.380 1.619 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000923349163 644362140 /nfs/dbraw/zinc/36/21/40/644362140.db2.gz PHHPWHAOZNJMRH-CHWSQXEVSA-N 2 1 226.364 1.374 20 30 BDEDMP C=CCC[C@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923367814 644378684 /nfs/dbraw/zinc/37/86/84/644378684.db2.gz IVZLUZITLOVVEV-WDEREUQCSA-N 2 1 214.353 1.277 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000923426573 644422443 /nfs/dbraw/zinc/42/24/43/644422443.db2.gz OGGWPKLQXNBAEL-CYBMUJFWSA-N 2 1 238.375 1.532 20 30 BDEDMP CCNC(NC[C@@H](C)[N@@H+](C)C1CC1)=[NH+]CC ZINC000303410189 644822041 /nfs/dbraw/zinc/82/20/41/644822041.db2.gz WAEOUXRAVTYGGR-SNVBAGLBSA-N 2 1 226.368 1.044 20 30 BDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCCCC1 ZINC000303709723 644839056 /nfs/dbraw/zinc/83/90/56/644839056.db2.gz NXNLNVIGOHEONO-LBPRGKRZSA-N 2 1 238.379 1.271 20 30 BDEDMP CCCCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000303719257 644841059 /nfs/dbraw/zinc/84/10/59/644841059.db2.gz VTOXYRBYGXBGTF-GFCCVEGCSA-N 2 1 240.395 1.565 20 30 BDEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])NCCC(C)C)C1 ZINC000303893678 644854953 /nfs/dbraw/zinc/85/49/53/644854953.db2.gz OIOAAPGEWZFESX-LBPRGKRZSA-N 2 1 240.395 1.279 20 30 BDEDMP CCCNC(=[NH2+])NCC[N@@H+](C)C1CCCCC1 ZINC000303910387 644857188 /nfs/dbraw/zinc/85/71/88/644857188.db2.gz YVEZYYJLPMCNFB-UHFFFAOYSA-N 2 1 240.395 1.565 20 30 BDEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)nc1 ZINC000925672040 646403495 /nfs/dbraw/zinc/40/34/95/646403495.db2.gz GHXRYYYAGWARGE-STQMWFEESA-N 2 1 242.326 1.313 20 30 BDEDMP C=CC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579929 711770536 /nfs/dbraw/zinc/77/05/36/711770536.db2.gz QKFCMAPLHAPNLY-RWMBFGLXSA-N 2 1 208.349 1.977 20 30 BDEDMP C=CC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579929 711770537 /nfs/dbraw/zinc/77/05/37/711770537.db2.gz QKFCMAPLHAPNLY-RWMBFGLXSA-N 2 1 208.349 1.977 20 30 BDEDMP C=CC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579929 711770539 /nfs/dbraw/zinc/77/05/39/711770539.db2.gz QKFCMAPLHAPNLY-RWMBFGLXSA-N 2 1 208.349 1.977 20 30 BDEDMP C=CC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579929 711770541 /nfs/dbraw/zinc/77/05/41/711770541.db2.gz QKFCMAPLHAPNLY-RWMBFGLXSA-N 2 1 208.349 1.977 20 30 BDEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000710749550 712255800 /nfs/dbraw/zinc/25/58/00/712255800.db2.gz IBLOEDLINPXPQI-GFCCVEGCSA-N 2 1 241.379 1.128 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CC(OCC)C1 ZINC000328197831 712381595 /nfs/dbraw/zinc/38/15/95/712381595.db2.gz SDMAFAULXGPYTD-UHFFFAOYSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C1CC(OCC)C1 ZINC000328197831 712381596 /nfs/dbraw/zinc/38/15/96/712381596.db2.gz SDMAFAULXGPYTD-UHFFFAOYSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](C)CCC ZINC000382004873 710765658 /nfs/dbraw/zinc/76/56/58/710765658.db2.gz KSPOANITPQOWKC-ZDUSSCGKSA-N 2 1 210.365 1.967 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](C)CCC ZINC000382004873 710765660 /nfs/dbraw/zinc/76/56/60/710765660.db2.gz KSPOANITPQOWKC-ZDUSSCGKSA-N 2 1 210.365 1.967 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(F)cc1 ZINC000383044670 710868529 /nfs/dbraw/zinc/86/85/29/710868529.db2.gz IJWFMWUJNWKHNL-UHFFFAOYSA-N 2 1 234.318 1.870 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(F)cc1 ZINC000383044670 710868531 /nfs/dbraw/zinc/86/85/31/710868531.db2.gz IJWFMWUJNWKHNL-UHFFFAOYSA-N 2 1 234.318 1.870 20 30 BDEDMP C#CC[N@@H+](C)CCCN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000392840299 711153477 /nfs/dbraw/zinc/15/34/77/711153477.db2.gz YUOJHVUIAOVAFW-CABCVRRESA-N 3 1 249.402 1.158 20 30 BDEDMP C#CC[NH+](C)CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000392840299 711153479 /nfs/dbraw/zinc/15/34/79/711153479.db2.gz YUOJHVUIAOVAFW-CABCVRRESA-N 2 1 249.402 1.158 20 30 BDEDMP C#CC[NH+](C)CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000392840299 711153480 /nfs/dbraw/zinc/15/34/80/711153480.db2.gz YUOJHVUIAOVAFW-CABCVRRESA-N 2 1 249.402 1.158 20 30 BDEDMP C#CCN(C)CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000392840299 711153481 /nfs/dbraw/zinc/15/34/81/711153481.db2.gz YUOJHVUIAOVAFW-CABCVRRESA-N 2 1 249.402 1.158 20 30 BDEDMP C#CCN(C)CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000392840299 711153483 /nfs/dbraw/zinc/15/34/83/711153483.db2.gz YUOJHVUIAOVAFW-CABCVRRESA-N 2 1 249.402 1.158 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(C)c1O ZINC000394162604 711187315 /nfs/dbraw/zinc/18/73/15/711187315.db2.gz LYUHNAFJRQQMDY-UHFFFAOYSA-N 2 1 246.354 1.745 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(C)c1O ZINC000394162604 711187322 /nfs/dbraw/zinc/18/73/22/711187322.db2.gz LYUHNAFJRQQMDY-UHFFFAOYSA-N 2 1 246.354 1.745 20 30 BDEDMP C#CCCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000702332947 712047974 /nfs/dbraw/zinc/04/79/74/712047974.db2.gz XECIEGJXCFKDOR-OLZOCXBDSA-N 2 1 206.333 1.283 20 30 BDEDMP C#CCCC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000702332947 712047975 /nfs/dbraw/zinc/04/79/75/712047975.db2.gz XECIEGJXCFKDOR-OLZOCXBDSA-N 2 1 206.333 1.283 20 30 BDEDMP C#CCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000702332947 712047977 /nfs/dbraw/zinc/04/79/77/712047977.db2.gz XECIEGJXCFKDOR-OLZOCXBDSA-N 2 1 206.333 1.283 20 30 BDEDMP N#C[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000702651729 712058794 /nfs/dbraw/zinc/05/87/94/712058794.db2.gz KHHYPZPCTWVDMW-ZDUSSCGKSA-N 2 1 221.348 1.612 20 30 BDEDMP C#CC[C@H](COC)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000716934215 712597213 /nfs/dbraw/zinc/59/72/13/712597213.db2.gz JGJJBBANOQQOQD-RWMBFGLXSA-N 2 1 224.348 1.097 20 30 BDEDMP C#CC[C@H](COC)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000716934215 712597215 /nfs/dbraw/zinc/59/72/15/712597215.db2.gz JGJJBBANOQQOQD-RWMBFGLXSA-N 2 1 224.348 1.097 20 30 BDEDMP C=CC[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720869133 712871738 /nfs/dbraw/zinc/87/17/38/712871738.db2.gz CNOIGTJAARIPEO-SFYZADRCSA-N 2 1 208.227 1.241 20 30 BDEDMP C=CC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720869133 712871741 /nfs/dbraw/zinc/87/17/41/712871741.db2.gz CNOIGTJAARIPEO-SFYZADRCSA-N 2 1 208.227 1.241 20 30 BDEDMP C#CC1CC[NH+](C[C@@H](O)C[NH+](CC)CC)CC1 ZINC001253195162 969108082 /nfs/dbraw/zinc/10/80/82/969108082.db2.gz OTUPWNRKDBJDPF-AWEZNQCLSA-N 2 1 238.375 1.034 20 30 BDEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCC#N)C2 ZINC001169100746 969398151 /nfs/dbraw/zinc/39/81/51/969398151.db2.gz MHPQIADTSBEVSN-ZSBIGDGJSA-N 2 1 207.321 1.505 20 30 BDEDMP C#CC1([NH2+][C@@H](C)CC[NH+](CC)CC)CC1 ZINC001255948252 970583112 /nfs/dbraw/zinc/58/31/12/970583112.db2.gz IGDIDWPUQIZAPI-LBPRGKRZSA-N 2 1 208.349 1.862 20 30 BDEDMP C=CCOC1CCC([N@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC001246918968 973473547 /nfs/dbraw/zinc/47/35/47/973473547.db2.gz YVMTYXHFZSTUIX-ROKHWSDSSA-N 2 1 238.375 1.923 20 30 BDEDMP C=CCOC1CCC([N@@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC001246918968 973473561 /nfs/dbraw/zinc/47/35/61/973473561.db2.gz YVMTYXHFZSTUIX-ROKHWSDSSA-N 2 1 238.375 1.923 20 30 BDEDMP C#CC[N@@H+](C)C1CC[NH+](C(C)(C)C)CC1 ZINC001256574236 970868712 /nfs/dbraw/zinc/86/87/12/970868712.db2.gz XSZYGGASUCMLHQ-UHFFFAOYSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CC[N@H+](C)C1CC[NH+](C(C)(C)C)CC1 ZINC001256574236 970868714 /nfs/dbraw/zinc/86/87/14/970868714.db2.gz XSZYGGASUCMLHQ-UHFFFAOYSA-N 2 1 208.349 1.814 20 30 BDEDMP N#CC1CCC([N@H+]2CCC[C@H]2C[NH3+])CC1 ZINC001256956639 971031935 /nfs/dbraw/zinc/03/19/35/971031935.db2.gz XYROAOYMXRRYRG-MCIGGMRASA-N 2 1 207.321 1.492 20 30 BDEDMP N#CC1CCC([N@@H+]2CCC[C@H]2C[NH3+])CC1 ZINC001256956639 971031945 /nfs/dbraw/zinc/03/19/45/971031945.db2.gz XYROAOYMXRRYRG-MCIGGMRASA-N 2 1 207.321 1.492 20 30 BDEDMP C=CCn1ccc2c1nc[nH+]c2NCC[C@@H](C)[NH3+] ZINC001170889119 972036045 /nfs/dbraw/zinc/03/60/45/972036045.db2.gz KEBXPXOKISWWMN-SNVBAGLBSA-N 2 1 245.330 1.767 20 30 BDEDMP C[C@@H]1C[C@H]([NH2+]CC#CC(C)(C)C)CC[NH2+]1 ZINC001246325264 972287348 /nfs/dbraw/zinc/28/73/48/972287348.db2.gz JARGTPIRUWPGEV-VXGBXAGGSA-N 2 1 208.349 1.766 20 30 BDEDMP C[C@@H]1C[C@@H]([NH2+]Cc2cncc(C#N)c2)CC[NH2+]1 ZINC001246352554 972301551 /nfs/dbraw/zinc/30/15/51/972301551.db2.gz RVCFMBZCRSXXBL-MFKMUULPSA-N 2 1 230.315 1.183 20 30 BDEDMP [NH2+]=C(Nc1cccc(/C=N/O)c1)SCC[NH3+] ZINC001167912995 959165753 /nfs/dbraw/zinc/16/57/53/959165753.db2.gz UTXPLMUTBBJWDQ-NTUHNPAUSA-N 2 1 238.316 1.533 20 30 BDEDMP N#Cc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)nc1 ZINC001206633019 962150655 /nfs/dbraw/zinc/15/06/55/962150655.db2.gz REPXGMJBIZYWSJ-ZDUSSCGKSA-N 2 1 244.342 1.514 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)nc1 ZINC001206633019 962150664 /nfs/dbraw/zinc/15/06/64/962150664.db2.gz REPXGMJBIZYWSJ-ZDUSSCGKSA-N 2 1 244.342 1.514 20 30 BDEDMP C#CC(C)(C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168353014 964493534 /nfs/dbraw/zinc/49/35/34/964493534.db2.gz GUXVBFNMGYTVTK-UHFFFAOYSA-N 2 1 220.360 1.862 20 30 BDEDMP C=CCC[C@H](C)[NH2+]C[C@H](C[NH+](C)C)OCC ZINC000926958891 964525811 /nfs/dbraw/zinc/52/58/11/964525811.db2.gz IDQSJQLWTWULIY-QWHCGFSZSA-N 2 1 228.380 1.897 20 30 BDEDMP Cc1[nH+]c(N(C)CCC[NH+](C)C)ccc1CC#N ZINC001163598384 965471169 /nfs/dbraw/zinc/47/11/69/965471169.db2.gz SPFJWHFAAGOAPI-UHFFFAOYSA-N 2 1 246.358 1.844 20 30 BDEDMP Cc1ccc(CC#N)c(N(C)CCC[NH+](C)C)[nH+]1 ZINC001163597809 965472251 /nfs/dbraw/zinc/47/22/51/965472251.db2.gz LHWQBPUTTQPKRF-UHFFFAOYSA-N 2 1 246.358 1.844 20 30 BDEDMP C=C(C)C[N@@H+](CC)C[C@@H]1CNC(C)(C)O1 ZINC001235949542 966178462 /nfs/dbraw/zinc/17/84/62/966178462.db2.gz BHQHFQXWWQIWFQ-NSHDSACASA-N 2 1 212.337 1.609 20 30 BDEDMP C=CCc1cccc(C[NH+]2CC(C)(C[NH3+])C2)c1O ZINC001206717865 966397331 /nfs/dbraw/zinc/39/73/31/966397331.db2.gz FRWKJJXNYSHBOC-UHFFFAOYSA-N 2 1 246.354 1.901 20 30 BDEDMP N#Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)nc1 ZINC001205109293 967354151 /nfs/dbraw/zinc/35/41/51/967354151.db2.gz DORRWMQOTXXRNV-GFCCVEGCSA-N 2 1 230.315 1.266 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)nc1 ZINC001205109293 967354166 /nfs/dbraw/zinc/35/41/66/967354166.db2.gz DORRWMQOTXXRNV-GFCCVEGCSA-N 2 1 230.315 1.266 20 30 BDEDMP C=CCCCC[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209839 967431042 /nfs/dbraw/zinc/43/10/42/967431042.db2.gz LTMLTTSTJWDXLM-CYBMUJFWSA-N 2 1 226.364 1.518 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2[nH]ccc2C#N)CCC[C@H]1C[NH3+] ZINC001206012309 967968769 /nfs/dbraw/zinc/96/87/69/967968769.db2.gz KFFFYYKJUROQHL-NEPJUHHUSA-N 2 1 246.358 1.693 20 30 BDEDMP C=C[C@@H](O)C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC001253600875 969293912 /nfs/dbraw/zinc/29/39/12/969293912.db2.gz GYDAJYJROKDKLH-CHWSQXEVSA-N 2 1 226.364 1.387 20 30 BDEDMP C#C[C@@H]1CCC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC001169265682 969522602 /nfs/dbraw/zinc/52/26/02/969522602.db2.gz OYYXWCFZUUOXHT-CYBMUJFWSA-N 2 1 220.360 1.816 20 30 BDEDMP C#C[C@@H]1CCC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC001169265682 969522604 /nfs/dbraw/zinc/52/26/04/969522604.db2.gz OYYXWCFZUUOXHT-CYBMUJFWSA-N 2 1 220.360 1.816 20 30 BDEDMP C=CC[N@H+](C)CCN(CC)C[C@H]1CCC[NH+]1C ZINC001169844744 969869960 /nfs/dbraw/zinc/86/99/60/969869960.db2.gz PXIPJMMXMUCSHE-CQSZACIVSA-N 2 1 239.407 1.520 20 30 BDEDMP C=CC[NH+](C)CCN(CC)C[C@H]1CCC[N@@H+]1C ZINC001169844744 969869963 /nfs/dbraw/zinc/86/99/63/969869963.db2.gz PXIPJMMXMUCSHE-CQSZACIVSA-N 2 1 239.407 1.520 20 30 BDEDMP C=CC[NH+](C)CCN(CC)C[C@H]1CCC[N@H+]1C ZINC001169844744 969869968 /nfs/dbraw/zinc/86/99/68/969869968.db2.gz PXIPJMMXMUCSHE-CQSZACIVSA-N 2 1 239.407 1.520 20 30 BDEDMP C[N@@H+]1CCC[C@H](NC(=[NH2+])c2ccc(C#N)cc2)C1 ZINC001255471335 970199469 /nfs/dbraw/zinc/19/94/69/970199469.db2.gz XDTNMVPVBAWKIV-ZDUSSCGKSA-N 2 1 242.326 1.358 20 30 BDEDMP C[N@H+]1CCC[C@H](NC(=[NH2+])c2ccc(C#N)cc2)C1 ZINC001255471335 970199477 /nfs/dbraw/zinc/19/94/77/970199477.db2.gz XDTNMVPVBAWKIV-ZDUSSCGKSA-N 2 1 242.326 1.358 20 30 BDEDMP C=CCCCCC[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235054605 978964996 /nfs/dbraw/zinc/96/49/96/978964996.db2.gz XAROIDBUABYFSY-CQSZACIVSA-N 2 1 237.391 1.370 20 30 BDEDMP CCCCCCCCC[N@@H+]1C[C@@H](N)[C@H](O)C1 ZINC001205340173 980305262 /nfs/dbraw/zinc/30/52/62/980305262.db2.gz PVHJHYBONKXSLC-CHWSQXEVSA-N 2 1 228.380 1.741 20 30 BDEDMP CCCCCCCCC[N@H+]1C[C@@H](N)[C@H](O)C1 ZINC001205340173 980305267 /nfs/dbraw/zinc/30/52/67/980305267.db2.gz PVHJHYBONKXSLC-CHWSQXEVSA-N 2 1 228.380 1.741 20 30 BDEDMP C[C@@]12C[NH2+]C[C@@H]1C[N@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC001579474202 985976726 /nfs/dbraw/zinc/97/67/26/985976726.db2.gz ZUCXXEYAQXXANM-RNJOBUHISA-N 2 1 219.332 1.220 20 30 BDEDMP N#C[C@H]1CC[C@@H]([N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001580040616 986452192 /nfs/dbraw/zinc/45/21/92/986452192.db2.gz LTLBNNIUYNLYFA-QNWHQSFQSA-N 2 1 219.332 1.220 20 30 BDEDMP CC#CC[N@H+](C)CC1CC[NH+](CC)CC1 ZINC001462629564 986470869 /nfs/dbraw/zinc/47/08/69/986470869.db2.gz MXFFKJDZKWKEJL-UHFFFAOYSA-N 2 1 208.349 1.673 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246019741 987306087 /nfs/dbraw/zinc/30/60/87/987306087.db2.gz JSEDGZWHFCRQGV-OLZOCXBDSA-N 2 1 226.364 1.517 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246021573 987306289 /nfs/dbraw/zinc/30/62/89/987306289.db2.gz KQTOBTUQYMICQC-MCIONIFRSA-N 2 1 240.391 1.620 20 30 BDEDMP C=C[C@@](C)(O)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246023740 987316880 /nfs/dbraw/zinc/31/68/80/987316880.db2.gz SQQGCBQQENCPPE-NEPJUHHUSA-N 2 1 230.327 1.076 20 30 BDEDMP C=C[C@@](C)(O)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246035135 987334582 /nfs/dbraw/zinc/33/45/82/987334582.db2.gz ZJMWZXCAXUZAPH-OLZOCXBDSA-N 2 1 224.348 1.141 20 30 BDEDMP N#C[C@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246205358 987603509 /nfs/dbraw/zinc/60/35/09/987603509.db2.gz MWGMNINHFZATOB-SRVKXCTJSA-N 2 1 207.321 1.410 20 30 BDEDMP C[C@@H](CCCC#N)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246562747 988005701 /nfs/dbraw/zinc/00/57/01/988005701.db2.gz ZLCKNWWNFPNEGR-QWRGUYRKSA-N 2 1 245.317 1.985 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246932072 988758461 /nfs/dbraw/zinc/75/84/61/988758461.db2.gz PEGYSYFXMIJCIZ-MQYQWHSLSA-N 2 1 233.359 1.610 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccno1 ZINC001560859623 991629854 /nfs/dbraw/zinc/62/98/54/991629854.db2.gz OVUYOUUIVGDBIK-LBPRGKRZSA-N 2 1 235.331 1.150 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccno1 ZINC001560859623 991629859 /nfs/dbraw/zinc/62/98/59/991629859.db2.gz OVUYOUUIVGDBIK-LBPRGKRZSA-N 2 1 235.331 1.150 20 30 BDEDMP C=CCC[C@H](C)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001258720524 991651935 /nfs/dbraw/zinc/65/19/35/991651935.db2.gz ANERTLGATMJTCE-JSGCOSHPSA-N 2 1 237.391 1.354 20 30 BDEDMP C#CC(C)(C)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC001574458450 992864903 /nfs/dbraw/zinc/86/49/03/992864903.db2.gz RFLLYYZLEXFEPY-GFCCVEGCSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+]1CCC[C@@H](NCC[NH2+]C(C)(C)C)C1 ZINC001574673510 992887344 /nfs/dbraw/zinc/88/73/44/992887344.db2.gz MPFPIDTXWXCFBW-CYBMUJFWSA-N 2 1 237.391 1.062 20 30 BDEDMP C#CC[N@@H+]1CCC[C@@H](NCC[NH2+]C(C)(C)C)C1 ZINC001574673510 992887347 /nfs/dbraw/zinc/88/73/47/992887347.db2.gz MPFPIDTXWXCFBW-CYBMUJFWSA-N 2 1 237.391 1.062 20 30 BDEDMP C=CC[N@H+](C)CCN(CC)CCC[NH2+]C ZINC001574921326 992946709 /nfs/dbraw/zinc/94/67/09/992946709.db2.gz YPPQHKUZCPMZOA-UHFFFAOYSA-N 2 1 213.369 1.036 20 30 BDEDMP C=CC[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)[C@@H](C)COC ZINC001574933132 992947617 /nfs/dbraw/zinc/94/76/17/992947617.db2.gz LXFZRWDQVWVUDE-RWMBFGLXSA-N 2 1 226.364 1.637 20 30 BDEDMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001576382251 993290943 /nfs/dbraw/zinc/29/09/43/993290943.db2.gz JHMODHZMMWJNRM-KGLIPLIRSA-N 2 1 246.329 1.893 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2cc(C#N)ccn2)CC[C@H]1C[NH3+] ZINC001576807801 993426393 /nfs/dbraw/zinc/42/63/93/993426393.db2.gz VSCNKQGCWFPJAM-AAEUAGOBSA-N 2 1 244.342 1.370 20 30 BDEDMP CCC#C[C@H](C)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001576924280 993455414 /nfs/dbraw/zinc/45/54/14/993455414.db2.gz XWRDPXSJCDEGAR-QWHCGFSZSA-N 2 1 208.349 1.720 20 30 BDEDMP CCC#C[C@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001576924280 993455417 /nfs/dbraw/zinc/45/54/17/993455417.db2.gz XWRDPXSJCDEGAR-QWHCGFSZSA-N 2 1 208.349 1.720 20 30 BDEDMP C=CCC[C@H](CC)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336731034 136218025 /nfs/dbraw/zinc/21/80/25/136218025.db2.gz IRNCNQACKSSGDL-STQMWFEESA-N 2 1 226.364 1.387 20 30 BDEDMP C=CCC[C@H](CC)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336731034 136218026 /nfs/dbraw/zinc/21/80/26/136218026.db2.gz IRNCNQACKSSGDL-STQMWFEESA-N 2 1 226.364 1.387 20 30 BDEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430750230 398230208 /nfs/dbraw/zinc/23/02/08/398230208.db2.gz NBSCNIYAHNVEHT-FRRDWIJNSA-N 2 1 235.375 1.999 20 30 BDEDMP CC#CC[NH+](C)C/C=C/C[N@H+](C)CC#CC ZINC000339766636 136280906 /nfs/dbraw/zinc/28/09/06/136280906.db2.gz TVOCNXFWOSVSNR-MDZDMXLPSA-N 2 1 218.344 1.453 20 30 BDEDMP CC#CC[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350251996 136357086 /nfs/dbraw/zinc/35/70/86/136357086.db2.gz MPHOOAUDLQNMFA-AWEZNQCLSA-N 2 1 238.375 1.442 20 30 BDEDMP C[C@H](C#N)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251075375 343534616 /nfs/dbraw/zinc/53/46/16/343534616.db2.gz GFBMDNSFZJIGOT-WOPDTQHZSA-N 2 1 207.321 1.362 20 30 BDEDMP C=CC[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000625703202 344048061 /nfs/dbraw/zinc/04/80/61/344048061.db2.gz RHPPKTLZABUKMU-GXTWGEPZSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CC[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000625703202 344048065 /nfs/dbraw/zinc/04/80/65/344048065.db2.gz RHPPKTLZABUKMU-GXTWGEPZSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CC[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000625703202 344048066 /nfs/dbraw/zinc/04/80/66/344048066.db2.gz RHPPKTLZABUKMU-GXTWGEPZSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CC[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000625703202 344048069 /nfs/dbraw/zinc/04/80/69/344048069.db2.gz RHPPKTLZABUKMU-GXTWGEPZSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CC[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000625703208 344048370 /nfs/dbraw/zinc/04/83/70/344048370.db2.gz RHPPKTLZABUKMU-OCCSQVGLSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CC[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000625703208 344048371 /nfs/dbraw/zinc/04/83/71/344048371.db2.gz RHPPKTLZABUKMU-OCCSQVGLSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000625703208 344048372 /nfs/dbraw/zinc/04/83/72/344048372.db2.gz RHPPKTLZABUKMU-OCCSQVGLSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000625703208 344048373 /nfs/dbraw/zinc/04/83/73/344048373.db2.gz RHPPKTLZABUKMU-OCCSQVGLSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CC[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000625704136 344049071 /nfs/dbraw/zinc/04/90/71/344049071.db2.gz VXPXNROGQHCABI-KBPBESRZSA-N 2 1 240.391 1.586 20 30 BDEDMP C=CC[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000625704136 344049072 /nfs/dbraw/zinc/04/90/72/344049072.db2.gz VXPXNROGQHCABI-KBPBESRZSA-N 2 1 240.391 1.586 20 30 BDEDMP C=CC[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000625704136 344049073 /nfs/dbraw/zinc/04/90/73/344049073.db2.gz VXPXNROGQHCABI-KBPBESRZSA-N 2 1 240.391 1.586 20 30 BDEDMP C=CC[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000625704140 344049127 /nfs/dbraw/zinc/04/91/27/344049127.db2.gz VXPXNROGQHCABI-UONOGXRCSA-N 2 1 240.391 1.586 20 30 BDEDMP C=CC[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000625704140 344049128 /nfs/dbraw/zinc/04/91/28/344049128.db2.gz VXPXNROGQHCABI-UONOGXRCSA-N 2 1 240.391 1.586 20 30 BDEDMP C=CC[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000625704140 344049129 /nfs/dbraw/zinc/04/91/29/344049129.db2.gz VXPXNROGQHCABI-UONOGXRCSA-N 2 1 240.391 1.586 20 30 BDEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCC#N ZINC000133238455 344316373 /nfs/dbraw/zinc/31/63/73/344316373.db2.gz HBMAPUYHQWDPPW-NEPJUHHUSA-N 2 1 209.337 1.610 20 30 BDEDMP C[NH+](C)C1CC[NH+](CCCSCC#N)CC1 ZINC000173865959 323073822 /nfs/dbraw/zinc/07/38/22/323073822.db2.gz WSBJHLMQOMUPNF-UHFFFAOYSA-N 2 1 241.404 1.659 20 30 BDEDMP CC#CC[C@@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000641767985 362698705 /nfs/dbraw/zinc/69/87/05/362698705.db2.gz SUCKVVACHSIINW-ZDUSSCGKSA-N 2 1 247.342 1.012 20 30 BDEDMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000310040501 347222895 /nfs/dbraw/zinc/22/28/95/347222895.db2.gz XSWXEHGDFKZIFN-RWMBFGLXSA-N 2 1 223.364 1.999 20 30 BDEDMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000310040501 347222898 /nfs/dbraw/zinc/22/28/98/347222898.db2.gz XSWXEHGDFKZIFN-RWMBFGLXSA-N 2 1 223.364 1.999 20 30 BDEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 ZINC000591578051 347678042 /nfs/dbraw/zinc/67/80/42/347678042.db2.gz PLMUFMGGDBRJMG-UPJWGTAASA-N 2 1 221.348 1.800 20 30 BDEDMP C[C@]1(C#N)CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000595904513 348396265 /nfs/dbraw/zinc/39/62/65/348396265.db2.gz DZHQCBBTYOYRHF-VXGBXAGGSA-N 2 1 207.321 1.222 20 30 BDEDMP C[NH+](C)CCC[C@H]1C[N@H+](CCCC#N)CCO1 ZINC000595907007 348397012 /nfs/dbraw/zinc/39/70/12/348397012.db2.gz QKSVJSJKXGXVKY-ZDUSSCGKSA-N 2 1 239.363 1.333 20 30 BDEDMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCC#N)CCO1 ZINC000595907007 348397015 /nfs/dbraw/zinc/39/70/15/348397015.db2.gz QKSVJSJKXGXVKY-ZDUSSCGKSA-N 2 1 239.363 1.333 20 30 BDEDMP N#C[C@H]1CCC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000596651173 348605952 /nfs/dbraw/zinc/60/59/52/348605952.db2.gz ARPUYYSBRSPFBX-GMKTYKIGSA-N 2 1 219.332 1.410 20 30 BDEDMP C[NH2+]C[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000596653721 348607357 /nfs/dbraw/zinc/60/73/57/348607357.db2.gz CTWVJLDJROKLAX-UNXYVOJBSA-N 2 1 209.337 1.656 20 30 BDEDMP C[N@H+]1CC[C@H]([NH2+]CCCC#N)CC1(C)C ZINC000598972425 349069487 /nfs/dbraw/zinc/06/94/87/349069487.db2.gz RFPGVMLGDJDPPO-NSHDSACASA-N 2 1 209.337 1.753 20 30 BDEDMP C[N@H+]1CCCC[C@H](CNCc2ccc(C#N)o2)C1 ZINC000598994465 349073033 /nfs/dbraw/zinc/07/30/33/349073033.db2.gz NTQMQRDZBVABGC-GFCCVEGCSA-N 2 1 247.342 1.973 20 30 BDEDMP Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1C#N ZINC000599269624 349136100 /nfs/dbraw/zinc/13/61/00/349136100.db2.gz UZXXEZGWQNVIHQ-GASCZTMLSA-N 2 1 241.338 1.518 20 30 BDEDMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1C#N ZINC000599269624 349136102 /nfs/dbraw/zinc/13/61/02/349136102.db2.gz UZXXEZGWQNVIHQ-GASCZTMLSA-N 2 1 241.338 1.518 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365404079 350267912 /nfs/dbraw/zinc/26/79/12/350267912.db2.gz OIYVWYMNTKJFFV-ZIAGYGMSSA-N 2 1 240.391 1.730 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623539168 362958522 /nfs/dbraw/zinc/95/85/22/362958522.db2.gz CKBFOYWVRIQOIJ-UPJWGTAASA-N 2 1 238.375 1.792 20 30 BDEDMP C=CCC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623542343 362960978 /nfs/dbraw/zinc/96/09/78/362960978.db2.gz WLEONNZKMCGQJT-QWHCGFSZSA-N 2 1 240.391 1.776 20 30 BDEDMP C=CCCC[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129519589 353316844 /nfs/dbraw/zinc/31/68/44/353316844.db2.gz BMAVSAOSWWJKAX-CQSZACIVSA-N 2 1 238.375 1.607 20 30 BDEDMP C=C(CC)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344066474 354130456 /nfs/dbraw/zinc/13/04/56/354130456.db2.gz PFAIMIQKCKYSHL-UHFFFAOYSA-N 2 1 241.423 1.768 20 30 BDEDMP Cn1c[nH+]cc1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000379428785 358484640 /nfs/dbraw/zinc/48/46/40/358484640.db2.gz DBVPOGOXEVIYNR-MNOVXSKESA-N 2 1 218.304 1.244 20 30 BDEDMP N#Cc1ccccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050247068 181146123 /nfs/dbraw/zinc/14/61/23/181146123.db2.gz KZXPVFGWPFMZAQ-LLVKDONJSA-N 2 1 215.300 1.339 20 30 BDEDMP N#Cc1ccccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050247068 181146125 /nfs/dbraw/zinc/14/61/25/181146125.db2.gz KZXPVFGWPFMZAQ-LLVKDONJSA-N 2 1 215.300 1.339 20 30 BDEDMP COCC#CC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757683 356664074 /nfs/dbraw/zinc/66/40/74/356664074.db2.gz OCFJKHSUYAMXJW-UHFFFAOYSA-N 2 1 236.359 1.054 20 30 BDEDMP C=C(C)CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761849 356679736 /nfs/dbraw/zinc/67/97/36/356679736.db2.gz FHCCHWXYJKAGPT-ZDUSSCGKSA-N 2 1 226.364 1.341 20 30 BDEDMP C=C(C)CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761849 356679740 /nfs/dbraw/zinc/67/97/40/356679740.db2.gz FHCCHWXYJKAGPT-ZDUSSCGKSA-N 2 1 226.364 1.341 20 30 BDEDMP CCN(CC[C@@H]1CCC[N@H+]1C)C[C@@H](C)C#N ZINC000124993438 358530465 /nfs/dbraw/zinc/53/04/65/358530465.db2.gz WTGYNSXQVFQSNN-STQMWFEESA-N 2 1 223.364 1.952 20 30 BDEDMP C#CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134932362 358810957 /nfs/dbraw/zinc/81/09/57/358810957.db2.gz RBGSKUBWRZXTTO-OCCSQVGLSA-N 2 1 218.344 1.568 20 30 BDEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134932362 358810961 /nfs/dbraw/zinc/81/09/61/358810961.db2.gz RBGSKUBWRZXTTO-OCCSQVGLSA-N 2 1 218.344 1.568 20 30 BDEDMP C#CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134932362 358810967 /nfs/dbraw/zinc/81/09/67/358810967.db2.gz RBGSKUBWRZXTTO-OCCSQVGLSA-N 2 1 218.344 1.568 20 30 BDEDMP C#CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134932362 358810972 /nfs/dbraw/zinc/81/09/72/358810972.db2.gz RBGSKUBWRZXTTO-OCCSQVGLSA-N 2 1 218.344 1.568 20 30 BDEDMP C=CCC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180936836 366561649 /nfs/dbraw/zinc/56/16/49/366561649.db2.gz MVNSFSCHQBRYIU-UHFFFAOYSA-N 2 1 239.407 1.520 20 30 BDEDMP C=CC[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000629550531 361442905 /nfs/dbraw/zinc/44/29/05/361442905.db2.gz OCGIDDPTWVDVIC-OLZOCXBDSA-N 2 1 236.359 1.405 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)COC)CC1 ZINC000153050572 201217928 /nfs/dbraw/zinc/21/79/28/201217928.db2.gz JKHCBWXCOIUJFR-LBPRGKRZSA-N 2 1 226.364 1.651 20 30 BDEDMP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000435736119 201286118 /nfs/dbraw/zinc/28/61/18/201286118.db2.gz UCUJBNOMQXQFKM-TZMCWYRMSA-N 2 1 238.375 1.651 20 30 BDEDMP C=CCCCCC[N@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000574816612 365152033 /nfs/dbraw/zinc/15/20/33/365152033.db2.gz PILNLXNCZGVMRD-ZDUSSCGKSA-N 2 1 228.380 1.635 20 30 BDEDMP C[NH2+]CCC[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000600711153 369560916 /nfs/dbraw/zinc/56/09/16/369560916.db2.gz RIUYZFVRSCGDCJ-UHFFFAOYSA-N 2 1 231.343 1.908 20 30 BDEDMP C[NH2+]CCC[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000600711153 369560919 /nfs/dbraw/zinc/56/09/19/369560919.db2.gz RIUYZFVRSCGDCJ-UHFFFAOYSA-N 2 1 231.343 1.908 20 30 BDEDMP C[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C[C@@H]1C[NH3+] ZINC000600769809 369562288 /nfs/dbraw/zinc/56/22/88/369562288.db2.gz RNBSFNJEVVRCHG-QWRGUYRKSA-N 2 1 233.315 1.568 20 30 BDEDMP C[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C[C@@H]1C[NH3+] ZINC000600769809 369562291 /nfs/dbraw/zinc/56/22/91/369562291.db2.gz RNBSFNJEVVRCHG-QWRGUYRKSA-N 2 1 233.315 1.568 20 30 BDEDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(C#N)cc1 ZINC000216029216 371684058 /nfs/dbraw/zinc/68/40/58/371684058.db2.gz NSRQIXAMAOIUNG-SMDDNHRTSA-N 2 1 229.327 1.727 20 30 BDEDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000126872147 384182402 /nfs/dbraw/zinc/18/24/02/384182402.db2.gz VXDMVVACLATWQN-SMDDNHRTSA-N 2 1 229.327 1.727 20 30 BDEDMP C#CCC[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371206602 533044519 /nfs/dbraw/zinc/04/45/19/533044519.db2.gz ZCFGNDGDUFRXFO-HNNXBMFYSA-N 2 1 249.402 1.110 20 30 BDEDMP C#CCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000372387155 533055936 /nfs/dbraw/zinc/05/59/36/533055936.db2.gz ZOADJCPISIGCTE-RDBSUJKOSA-N 2 1 218.344 1.426 20 30 BDEDMP C#CCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000372387155 533055937 /nfs/dbraw/zinc/05/59/37/533055937.db2.gz ZOADJCPISIGCTE-RDBSUJKOSA-N 2 1 218.344 1.426 20 30 BDEDMP C#CCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000372387155 533055942 /nfs/dbraw/zinc/05/59/42/533055942.db2.gz ZOADJCPISIGCTE-RDBSUJKOSA-N 2 1 218.344 1.426 20 30 BDEDMP C#CCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000372387152 533056612 /nfs/dbraw/zinc/05/66/12/533056612.db2.gz ZOADJCPISIGCTE-HZSPNIEDSA-N 2 1 218.344 1.426 20 30 BDEDMP C#CCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000372387152 533056616 /nfs/dbraw/zinc/05/66/16/533056616.db2.gz ZOADJCPISIGCTE-HZSPNIEDSA-N 2 1 218.344 1.426 20 30 BDEDMP C#CCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000372387152 533056618 /nfs/dbraw/zinc/05/66/18/533056618.db2.gz ZOADJCPISIGCTE-HZSPNIEDSA-N 2 1 218.344 1.426 20 30 BDEDMP C#CCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000372387153 533056709 /nfs/dbraw/zinc/05/67/09/533056709.db2.gz ZOADJCPISIGCTE-MCIONIFRSA-N 2 1 218.344 1.426 20 30 BDEDMP C#CCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000372387153 533056715 /nfs/dbraw/zinc/05/67/15/533056715.db2.gz ZOADJCPISIGCTE-MCIONIFRSA-N 2 1 218.344 1.426 20 30 BDEDMP C#CCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000372387153 533056719 /nfs/dbraw/zinc/05/67/19/533056719.db2.gz ZOADJCPISIGCTE-MCIONIFRSA-N 2 1 218.344 1.426 20 30 BDEDMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000308914936 384383198 /nfs/dbraw/zinc/38/31/98/384383198.db2.gz FQMFITGXEQRGAV-ZYHUDNBSSA-N 2 1 207.321 1.362 20 30 BDEDMP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(C#N)cc1 ZINC000423443526 384564060 /nfs/dbraw/zinc/56/40/60/384564060.db2.gz VQOSGOXGMNLBLH-BARDWOONSA-N 2 1 241.338 1.817 20 30 BDEDMP Cn1cc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1C#N ZINC000189574188 385191380 /nfs/dbraw/zinc/19/13/80/385191380.db2.gz LQOVPHZTKDFAKA-UHFFFAOYSA-N 2 1 248.374 1.574 20 30 BDEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCC#N ZINC000309110989 385426349 /nfs/dbraw/zinc/42/63/49/385426349.db2.gz JQZWAKQOSDVAKN-GRYCIOLGSA-N 2 1 209.337 1.608 20 30 BDEDMP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000393793433 386296706 /nfs/dbraw/zinc/29/67/06/386296706.db2.gz GNZJEQPRVOCEPG-RWMBFGLXSA-N 2 1 223.364 1.997 20 30 BDEDMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000393793433 386296709 /nfs/dbraw/zinc/29/67/09/386296709.db2.gz GNZJEQPRVOCEPG-RWMBFGLXSA-N 2 1 223.364 1.997 20 30 BDEDMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000393793433 386296714 /nfs/dbraw/zinc/29/67/14/386296714.db2.gz GNZJEQPRVOCEPG-RWMBFGLXSA-N 2 1 223.364 1.997 20 30 BDEDMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000393793433 386296719 /nfs/dbraw/zinc/29/67/19/386296719.db2.gz GNZJEQPRVOCEPG-RWMBFGLXSA-N 2 1 223.364 1.997 20 30 BDEDMP CC(C)[N@@H+](C)C[C@H](C)N[C@H]1CC[C@@H](C#N)C1 ZINC000393793434 386297169 /nfs/dbraw/zinc/29/71/69/386297169.db2.gz GNZJEQPRVOCEPG-XQQFMLRXSA-N 2 1 223.364 1.997 20 30 BDEDMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1CC[C@@H](C#N)C1 ZINC000393793434 386297175 /nfs/dbraw/zinc/29/71/75/386297175.db2.gz GNZJEQPRVOCEPG-XQQFMLRXSA-N 2 1 223.364 1.997 20 30 BDEDMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000393793434 386297179 /nfs/dbraw/zinc/29/71/79/386297179.db2.gz GNZJEQPRVOCEPG-XQQFMLRXSA-N 2 1 223.364 1.997 20 30 BDEDMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000393793434 386297182 /nfs/dbraw/zinc/29/71/82/386297182.db2.gz GNZJEQPRVOCEPG-XQQFMLRXSA-N 2 1 223.364 1.997 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]1C ZINC000392791427 387287031 /nfs/dbraw/zinc/28/70/31/387287031.db2.gz MMJYZVKTFCLOTN-OLZOCXBDSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]1C ZINC000392791427 387287035 /nfs/dbraw/zinc/28/70/35/387287035.db2.gz MMJYZVKTFCLOTN-OLZOCXBDSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000392846123 387293714 /nfs/dbraw/zinc/29/37/14/387293714.db2.gz UBLBKXNEHXSSRI-UONOGXRCSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000392846123 387293717 /nfs/dbraw/zinc/29/37/17/387293717.db2.gz UBLBKXNEHXSSRI-UONOGXRCSA-N 2 1 238.375 1.346 20 30 BDEDMP C=CCC[C@H](CC)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423515193 387349405 /nfs/dbraw/zinc/34/94/05/387349405.db2.gz MUJPWHCOHNZFOF-QWHCGFSZSA-N 2 1 225.380 1.224 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000320983633 387884096 /nfs/dbraw/zinc/88/40/96/387884096.db2.gz ACVFWACVCCRMJE-UPJWGTAASA-N 2 1 208.349 1.576 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000320983633 387884098 /nfs/dbraw/zinc/88/40/98/387884098.db2.gz ACVFWACVCCRMJE-UPJWGTAASA-N 2 1 208.349 1.576 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423156467 387936458 /nfs/dbraw/zinc/93/64/58/387936458.db2.gz SLTAEPRBFGBVMM-LPWJVIDDSA-N 2 1 224.348 1.450 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000453350110 388055876 /nfs/dbraw/zinc/05/58/76/388055876.db2.gz IWALGCCNCKSOGH-LOWDOPEQSA-N 2 1 224.348 1.402 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000453350110 388055879 /nfs/dbraw/zinc/05/58/79/388055879.db2.gz IWALGCCNCKSOGH-LOWDOPEQSA-N 2 1 224.348 1.402 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449520364 388223003 /nfs/dbraw/zinc/22/30/03/388223003.db2.gz PBKQBXWXFIFZBV-DGAVXFQQSA-N 2 1 236.359 1.546 20 30 BDEDMP C#C[C@@H](C)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000491748356 388317209 /nfs/dbraw/zinc/31/72/09/388317209.db2.gz REEMWSXCMKFYSO-GFCCVEGCSA-N 2 1 219.332 1.925 20 30 BDEDMP C#C[C@@H](C)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000491748356 388317210 /nfs/dbraw/zinc/31/72/10/388317210.db2.gz REEMWSXCMKFYSO-GFCCVEGCSA-N 2 1 219.332 1.925 20 30 BDEDMP CCC[N@@H+](C)C[C@@H]1CCN(CCCC#N)C1 ZINC000081572061 388584471 /nfs/dbraw/zinc/58/44/71/388584471.db2.gz HINUMERKZUIHAT-ZDUSSCGKSA-N 2 1 223.364 1.954 20 30 BDEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCC#N)C1 ZINC000081572061 388584473 /nfs/dbraw/zinc/58/44/73/388584473.db2.gz HINUMERKZUIHAT-ZDUSSCGKSA-N 2 1 223.364 1.954 20 30 BDEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCC#N)C1 ZINC000081572061 388584474 /nfs/dbraw/zinc/58/44/74/388584474.db2.gz HINUMERKZUIHAT-ZDUSSCGKSA-N 2 1 223.364 1.954 20 30 BDEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCC#N)C1 ZINC000081572061 388584476 /nfs/dbraw/zinc/58/44/76/388584476.db2.gz HINUMERKZUIHAT-ZDUSSCGKSA-N 2 1 223.364 1.954 20 30 BDEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCC#N)C1 ZINC000081572061 388584479 /nfs/dbraw/zinc/58/44/79/388584479.db2.gz HINUMERKZUIHAT-ZDUSSCGKSA-N 2 1 223.364 1.954 20 30 BDEDMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000423094605 388688171 /nfs/dbraw/zinc/68/81/71/388688171.db2.gz CCRNPCOGGQYYNJ-IUODEOHRSA-N 2 1 243.354 1.688 20 30 BDEDMP C=CCC[C@H](O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000367846715 134216550 /nfs/dbraw/zinc/21/65/50/134216550.db2.gz CFPQDQVQCZBSQX-KBPBESRZSA-N 2 1 238.375 1.341 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367846715 134216551 /nfs/dbraw/zinc/21/65/51/134216551.db2.gz CFPQDQVQCZBSQX-KBPBESRZSA-N 2 1 238.375 1.341 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367846715 134216552 /nfs/dbraw/zinc/21/65/52/134216552.db2.gz CFPQDQVQCZBSQX-KBPBESRZSA-N 2 1 238.375 1.341 20 30 BDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220951459 134314777 /nfs/dbraw/zinc/31/47/77/134314777.db2.gz PHYCVXWBCROYMP-QWHCGFSZSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220951459 134314778 /nfs/dbraw/zinc/31/47/78/134314778.db2.gz PHYCVXWBCROYMP-QWHCGFSZSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220951459 134314779 /nfs/dbraw/zinc/31/47/79/134314779.db2.gz PHYCVXWBCROYMP-QWHCGFSZSA-N 2 1 206.333 1.426 20 30 BDEDMP C=CCSCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000221939428 134326665 /nfs/dbraw/zinc/32/66/65/134326665.db2.gz WVFKNJNGFQMWOL-NWDGAFQWSA-N 2 1 228.405 1.835 20 30 BDEDMP C=CCOCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000339038516 135052429 /nfs/dbraw/zinc/05/24/29/135052429.db2.gz XHRDJBDMAUKWPP-KGLIPLIRSA-N 2 1 240.391 1.851 20 30 BDEDMP C=CCOCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000339038516 135052432 /nfs/dbraw/zinc/05/24/32/135052432.db2.gz XHRDJBDMAUKWPP-KGLIPLIRSA-N 2 1 240.391 1.851 20 30 BDEDMP C=CC[NH+](CC=C)[C@H](CNC(=[NH2+])NC)C(C)C ZINC000264076423 135131979 /nfs/dbraw/zinc/13/19/79/135131979.db2.gz FWFCAQMWAKFJDT-GFCCVEGCSA-N 2 1 238.379 1.219 20 30 BDEDMP C=C(C)CNC(=[NH2+])NCCC[N@H+](C)C(C)C ZINC000264101795 135133123 /nfs/dbraw/zinc/13/31/23/135133123.db2.gz OHOXCVJWKVHROC-UHFFFAOYSA-N 2 1 226.368 1.197 20 30 BDEDMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000261565250 135206946 /nfs/dbraw/zinc/20/69/46/135206946.db2.gz CZWSCMCLDVWCPY-MXWKQRLJSA-N 2 1 217.316 1.945 20 30 BDEDMP Cc1[nH+]ccn1CCNC(=[NH2+])Nc1ccccn1 ZINC000262008849 135271981 /nfs/dbraw/zinc/27/19/81/135271981.db2.gz SMQMKRVDRSGBDP-UHFFFAOYSA-N 2 1 244.302 1.013 20 30 BDEDMP C[C@H](CNC1=[NH+]CCN1C)[N@H+]1CCCC[C@H]1C ZINC000262634685 135310144 /nfs/dbraw/zinc/31/01/44/135310144.db2.gz GMSHOJZENAQUIZ-VXGBXAGGSA-N 2 1 238.379 1.140 20 30 BDEDMP CC1(C)CCC[N@H+]1CCNC(=[NH2+])NC1CCC1 ZINC000263159291 135336351 /nfs/dbraw/zinc/33/63/51/135336351.db2.gz QLABUHIGWUDPNO-UHFFFAOYSA-N 2 1 238.379 1.318 20 30 BDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NC1CCCC1 ZINC000263279848 135344188 /nfs/dbraw/zinc/34/41/88/135344188.db2.gz ZRTLJTXIYJOMCB-NSHDSACASA-N 2 1 238.379 1.046 20 30 BDEDMP CNC(NC[C@H](C)[N@H+](C)Cc1ccccc1)=[NH+]C ZINC000267434970 135364052 /nfs/dbraw/zinc/36/40/52/135364052.db2.gz NMYOASHPSWNIQA-LBPRGKRZSA-N 2 1 248.374 1.302 20 30 BDEDMP CNC(NC[C@H](C)[N@@H+](C)Cc1ccccc1)=[NH+]C ZINC000267434970 135364053 /nfs/dbraw/zinc/36/40/53/135364053.db2.gz NMYOASHPSWNIQA-LBPRGKRZSA-N 2 1 248.374 1.302 20 30 BDEDMP C=CCOCCC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000658210575 411295361 /nfs/dbraw/zinc/29/53/61/411295361.db2.gz UQNFTEKTYPPZOY-KBPBESRZSA-N 2 1 240.391 1.899 20 30 BDEDMP C=C(CC)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655773781 411255104 /nfs/dbraw/zinc/25/51/04/411255104.db2.gz HTPUCKJLYGHAKB-CQSZACIVSA-N 2 1 238.375 1.796 20 30 BDEDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000037643911 170015205 /nfs/dbraw/zinc/01/52/05/170015205.db2.gz WWMZEWSZOVWWOB-OAHLLOKOSA-N 2 1 243.354 1.990 20 30 BDEDMP C=C(C)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660653395 411613580 /nfs/dbraw/zinc/61/35/80/411613580.db2.gz QSOHYZDXALUERQ-ZDUSSCGKSA-N 2 1 208.349 1.980 20 30 BDEDMP C=C(C)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660653395 411613581 /nfs/dbraw/zinc/61/35/81/411613581.db2.gz QSOHYZDXALUERQ-ZDUSSCGKSA-N 2 1 208.349 1.980 20 30 BDEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660653395 411613583 /nfs/dbraw/zinc/61/35/83/411613583.db2.gz QSOHYZDXALUERQ-ZDUSSCGKSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CCCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662159004 412012767 /nfs/dbraw/zinc/01/27/67/412012767.db2.gz WHJSDYCAYOFXPI-CQSZACIVSA-N 2 1 238.375 1.484 20 30 BDEDMP C=C(C)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318160 412098690 /nfs/dbraw/zinc/09/86/90/412098690.db2.gz WOTUXHJALVDZQV-ZDUSSCGKSA-N 2 1 226.364 1.605 20 30 BDEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000649330173 487734026 /nfs/dbraw/zinc/73/40/26/487734026.db2.gz SHCBBTMQDZHTIK-KGLIPLIRSA-N 2 1 240.391 1.587 20 30 BDEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000649330173 487734030 /nfs/dbraw/zinc/73/40/30/487734030.db2.gz SHCBBTMQDZHTIK-KGLIPLIRSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C(C)C ZINC000851731280 588619375 /nfs/dbraw/zinc/61/93/75/588619375.db2.gz NJQVIPVDSFBZTF-ZDUSSCGKSA-N 2 1 228.380 1.584 20 30 BDEDMP C=CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C(C)C ZINC000851731280 588619376 /nfs/dbraw/zinc/61/93/76/588619376.db2.gz NJQVIPVDSFBZTF-ZDUSSCGKSA-N 2 1 228.380 1.584 20 30 BDEDMP C=CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C(C)C ZINC000851731280 588619377 /nfs/dbraw/zinc/61/93/77/588619377.db2.gz NJQVIPVDSFBZTF-ZDUSSCGKSA-N 2 1 228.380 1.584 20 30 BDEDMP C=CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C(C)C ZINC000851731280 588619378 /nfs/dbraw/zinc/61/93/78/588619378.db2.gz NJQVIPVDSFBZTF-ZDUSSCGKSA-N 2 1 228.380 1.584 20 30 BDEDMP C=CCC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000320808226 323183894 /nfs/dbraw/zinc/18/38/94/323183894.db2.gz WTLOWAZTDSTDBM-YNEHKIRRSA-N 2 1 226.364 1.386 20 30 BDEDMP C=CCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000320808226 323183895 /nfs/dbraw/zinc/18/38/95/323183895.db2.gz WTLOWAZTDSTDBM-YNEHKIRRSA-N 2 1 226.364 1.386 20 30 BDEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCC#N)C1 ZINC000076001185 325325582 /nfs/dbraw/zinc/32/55/82/325325582.db2.gz BHZCHJIXYZMCSP-ZDUSSCGKSA-N 2 1 223.364 1.954 20 30 BDEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCC#N)C1 ZINC000076001185 325325584 /nfs/dbraw/zinc/32/55/84/325325584.db2.gz BHZCHJIXYZMCSP-ZDUSSCGKSA-N 2 1 223.364 1.954 20 30 BDEDMP C=CC[NH+]1CCC(N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000568249324 326334829 /nfs/dbraw/zinc/33/48/29/326334829.db2.gz NNYMWAKFWJKPSV-GXTWGEPZSA-N 2 1 237.391 1.496 20 30 BDEDMP C=CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)COC ZINC000662299865 487546870 /nfs/dbraw/zinc/54/68/70/487546870.db2.gz YPAIEVQXIFIAGE-RYUDHWBXSA-N 2 1 212.337 1.119 20 30 BDEDMP C=CCNC(=[NH2+])NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000261689505 534844786 /nfs/dbraw/zinc/84/47/86/534844786.db2.gz BAHGCPWFOPVRFQ-VXGBXAGGSA-N 2 1 238.379 1.197 20 30 BDEDMP C[N@@H+]1CC[C@@H]2CC[NH+](CCCCC#N)[C@H]2C1 ZINC000361100838 536463160 /nfs/dbraw/zinc/46/31/60/536463160.db2.gz APECTUCXKUMMFM-OLZOCXBDSA-N 2 1 221.348 1.706 20 30 BDEDMP C[N@H+]1CC[C@@H]2CC[NH+](CCCCC#N)[C@H]2C1 ZINC000361100838 536463164 /nfs/dbraw/zinc/46/31/64/536463164.db2.gz APECTUCXKUMMFM-OLZOCXBDSA-N 2 1 221.348 1.706 20 30 BDEDMP C[NH+]1CC[C@@H]2CC[N@H+](CCCCC#N)[C@H]2C1 ZINC000361100838 536463167 /nfs/dbraw/zinc/46/31/67/536463167.db2.gz APECTUCXKUMMFM-OLZOCXBDSA-N 2 1 221.348 1.706 20 30 BDEDMP C[NH+]1CC[C@@H]2CC[N@@H+](CCCCC#N)[C@H]2C1 ZINC000361100838 536463170 /nfs/dbraw/zinc/46/31/70/536463170.db2.gz APECTUCXKUMMFM-OLZOCXBDSA-N 2 1 221.348 1.706 20 30 BDEDMP C#CCOCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000851798111 582968226 /nfs/dbraw/zinc/96/82/26/582968226.db2.gz YDNYRVFNRBQTFM-STQMWFEESA-N 2 1 224.348 1.051 20 30 BDEDMP C#CCOCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000851798111 582968228 /nfs/dbraw/zinc/96/82/28/582968228.db2.gz YDNYRVFNRBQTFM-STQMWFEESA-N 2 1 224.348 1.051 20 30 BDEDMP C#CCOCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000851798111 582968231 /nfs/dbraw/zinc/96/82/31/582968231.db2.gz YDNYRVFNRBQTFM-STQMWFEESA-N 2 1 224.348 1.051 20 30 BDEDMP C#CCOCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000851798111 582968232 /nfs/dbraw/zinc/96/82/32/582968232.db2.gz YDNYRVFNRBQTFM-STQMWFEESA-N 2 1 224.348 1.051 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](CC(C)C)OC ZINC000894863354 583536104 /nfs/dbraw/zinc/53/61/04/583536104.db2.gz AFTJYTOHIQKLDM-AWEZNQCLSA-N 2 1 240.391 1.592 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](CC(C)C)OC ZINC000894863354 583536107 /nfs/dbraw/zinc/53/61/07/583536107.db2.gz AFTJYTOHIQKLDM-AWEZNQCLSA-N 2 1 240.391 1.592 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C1CC(C(F)F)C1 ZINC000894863289 583536346 /nfs/dbraw/zinc/53/63/46/583536346.db2.gz WPNJYBXSSYQNCD-UHFFFAOYSA-N 2 1 230.302 1.575 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CC(C(F)F)C1 ZINC000894863289 583536347 /nfs/dbraw/zinc/53/63/47/583536347.db2.gz WPNJYBXSSYQNCD-UHFFFAOYSA-N 2 1 230.302 1.575 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000894863431 583536362 /nfs/dbraw/zinc/53/63/62/583536362.db2.gz CINWIFNGMLOMPP-QWRGUYRKSA-N 2 1 230.302 1.575 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000894863431 583536363 /nfs/dbraw/zinc/53/63/63/583536363.db2.gz CINWIFNGMLOMPP-QWRGUYRKSA-N 2 1 230.302 1.575 20 30 BDEDMP C#CCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902415166 584601322 /nfs/dbraw/zinc/60/13/22/584601322.db2.gz CCUKGKXRZGVVBY-GFCCVEGCSA-N 2 1 244.338 1.841 20 30 BDEDMP C[NH2+]C[C@@H]1CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903422679 584764607 /nfs/dbraw/zinc/76/46/07/584764607.db2.gz JCASFHLPNMGMNU-RUXDESIVSA-N 2 1 235.375 1.858 20 30 BDEDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903447433 584770680 /nfs/dbraw/zinc/77/06/80/584770680.db2.gz RZBMMXSNERRWEF-GFJIZPEISA-N 2 1 235.375 1.985 20 30 BDEDMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CC1CCC(C#N)CC1 ZINC000903455120 584773266 /nfs/dbraw/zinc/77/32/66/584773266.db2.gz QKENGUHOKOAHGI-WTIISPKJSA-N 2 1 221.348 1.738 20 30 BDEDMP C=CC[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903757718 584798594 /nfs/dbraw/zinc/79/85/94/584798594.db2.gz GIKBWEKOWZHBEI-KGLIPLIRSA-N 2 1 236.359 1.405 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903806630 584803108 /nfs/dbraw/zinc/80/31/08/584803108.db2.gz YSFZBZXXEQOCMD-RDBSUJKOSA-N 2 1 238.375 1.517 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903806630 584803109 /nfs/dbraw/zinc/80/31/09/584803109.db2.gz YSFZBZXXEQOCMD-RDBSUJKOSA-N 2 1 238.375 1.517 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903861966 584813005 /nfs/dbraw/zinc/81/30/05/584813005.db2.gz ZQWWSPVDHDQVPF-AVGNSLFASA-N 2 1 224.348 1.127 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903861966 584813006 /nfs/dbraw/zinc/81/30/06/584813006.db2.gz ZQWWSPVDHDQVPF-AVGNSLFASA-N 2 1 224.348 1.127 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903871770 584815638 /nfs/dbraw/zinc/81/56/38/584815638.db2.gz VETUXAKVMNJSKO-CHWSQXEVSA-N 2 1 224.348 1.141 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903871770 584815639 /nfs/dbraw/zinc/81/56/39/584815639.db2.gz VETUXAKVMNJSKO-CHWSQXEVSA-N 2 1 224.348 1.141 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1C[NH3+] ZINC000904411361 584879661 /nfs/dbraw/zinc/87/96/61/584879661.db2.gz UWFQWRAUCJFMDM-DOMZBBRYSA-N 2 1 243.354 1.975 20 30 BDEDMP N#Cc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904418976 584882382 /nfs/dbraw/zinc/88/23/82/584882382.db2.gz IQPMHYYGSGYJMB-LSDHHAIUSA-N 2 1 241.338 1.600 20 30 BDEDMP CC(C)C[N@@H+](CCC#N)CCc1cncn1C ZINC000838853954 585074955 /nfs/dbraw/zinc/07/49/55/585074955.db2.gz OHBWNMKRILWIQQ-UHFFFAOYSA-N 2 1 234.347 1.834 20 30 BDEDMP CC(C)CN(CCC#N)CCc1cncn1C ZINC000838853954 585074956 /nfs/dbraw/zinc/07/49/56/585074956.db2.gz OHBWNMKRILWIQQ-UHFFFAOYSA-N 2 1 234.347 1.834 20 30 BDEDMP C#CCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000766902352 585510200 /nfs/dbraw/zinc/51/02/00/585510200.db2.gz GRELTRFRJBGYBC-CHWSQXEVSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000766902352 585510201 /nfs/dbraw/zinc/51/02/01/585510201.db2.gz GRELTRFRJBGYBC-CHWSQXEVSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000766902352 585510202 /nfs/dbraw/zinc/51/02/02/585510202.db2.gz GRELTRFRJBGYBC-CHWSQXEVSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000766902352 585510203 /nfs/dbraw/zinc/51/02/03/585510203.db2.gz GRELTRFRJBGYBC-CHWSQXEVSA-N 2 1 208.349 1.814 20 30 BDEDMP CC[N@H+](C)C[C@@H]1CC[NH+](CCO[C@@H](C)C#N)C1 ZINC000801924813 586277867 /nfs/dbraw/zinc/27/78/67/586277867.db2.gz VJWZPFHEULKCBH-STQMWFEESA-N 2 1 239.363 1.189 20 30 BDEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCO[C@@H](C)C#N)C1 ZINC000801924813 586277868 /nfs/dbraw/zinc/27/78/68/586277868.db2.gz VJWZPFHEULKCBH-STQMWFEESA-N 2 1 239.363 1.189 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000801924813 586277870 /nfs/dbraw/zinc/27/78/70/586277870.db2.gz VJWZPFHEULKCBH-STQMWFEESA-N 2 1 239.363 1.189 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCO[C@@H](C)C#N)C1 ZINC000801924813 586277871 /nfs/dbraw/zinc/27/78/71/586277871.db2.gz VJWZPFHEULKCBH-STQMWFEESA-N 2 1 239.363 1.189 20 30 BDEDMP N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000817920042 586839970 /nfs/dbraw/zinc/83/99/70/586839970.db2.gz ZKYQYIOQQQCSPU-UONOGXRCSA-N 2 1 245.326 1.558 20 30 BDEDMP C#C[C@@H]([NH2+]CCCc1c[nH+]cn1C)[C@@H]1CCCO1 ZINC000846861703 588294076 /nfs/dbraw/zinc/29/40/76/588294076.db2.gz QUZPVPIDGBSLGB-KGLIPLIRSA-N 2 1 247.342 1.123 20 30 BDEDMP N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC000848720555 588408583 /nfs/dbraw/zinc/40/85/83/588408583.db2.gz PZXLYMAGVZXCEF-NEPJUHHUSA-N 2 1 230.315 1.313 20 30 BDEDMP C#CCOCC[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000851796872 588629805 /nfs/dbraw/zinc/62/98/05/588629805.db2.gz FJYCMDJSFQATJK-AWEZNQCLSA-N 2 1 238.375 1.300 20 30 BDEDMP C#CCOCC[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000851796872 588629806 /nfs/dbraw/zinc/62/98/06/588629806.db2.gz FJYCMDJSFQATJK-AWEZNQCLSA-N 2 1 238.375 1.300 20 30 BDEDMP C#CCOCC[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000851796872 588629807 /nfs/dbraw/zinc/62/98/07/588629807.db2.gz FJYCMDJSFQATJK-AWEZNQCLSA-N 2 1 238.375 1.300 20 30 BDEDMP C#CCOCC[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000851796872 588629808 /nfs/dbraw/zinc/62/98/08/588629808.db2.gz FJYCMDJSFQATJK-AWEZNQCLSA-N 2 1 238.375 1.300 20 30 BDEDMP C#CCOCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000852092318 588661509 /nfs/dbraw/zinc/66/15/09/588661509.db2.gz SVGHFXSRUCIZPH-CQSZACIVSA-N 2 1 236.359 1.054 20 30 BDEDMP C#CCOCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000852092318 588661510 /nfs/dbraw/zinc/66/15/10/588661510.db2.gz SVGHFXSRUCIZPH-CQSZACIVSA-N 2 1 236.359 1.054 20 30 BDEDMP C#CCOCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000852092318 588661511 /nfs/dbraw/zinc/66/15/11/588661511.db2.gz SVGHFXSRUCIZPH-CQSZACIVSA-N 2 1 236.359 1.054 20 30 BDEDMP N#Cc1ccc(N2CC[NH+](CCC[NH3+])CC2)cc1 ZINC000866703150 589513726 /nfs/dbraw/zinc/51/37/26/589513726.db2.gz FTVYXRDJVXKQAW-UHFFFAOYSA-N 2 1 244.342 1.029 20 30 BDEDMP CC#CCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785548 589817972 /nfs/dbraw/zinc/81/79/72/589817972.db2.gz VVLWVGOCQLAISR-YOGCLGLASA-N 2 1 235.331 1.381 20 30 BDEDMP CC#CCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785548 589817975 /nfs/dbraw/zinc/81/79/75/589817975.db2.gz VVLWVGOCQLAISR-YOGCLGLASA-N 2 1 235.331 1.381 20 30 BDEDMP C=C(Cl)C[C@@H]([NH3+])c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000871787807 589819318 /nfs/dbraw/zinc/81/93/18/589819318.db2.gz ASTWUZDZZMMFLB-HTQZYQBOSA-N 2 1 244.726 1.362 20 30 BDEDMP C[N@@H+]1CC[C@@H]2C[NH+](CCCCC#N)CC[C@H]21 ZINC000879571337 590806993 /nfs/dbraw/zinc/80/69/93/590806993.db2.gz PPZKMARMEWYZKD-CHWSQXEVSA-N 2 1 221.348 1.706 20 30 BDEDMP C[N@H+]1CC[C@@H]2C[NH+](CCCCC#N)CC[C@H]21 ZINC000879571337 590806996 /nfs/dbraw/zinc/80/69/96/590806996.db2.gz PPZKMARMEWYZKD-CHWSQXEVSA-N 2 1 221.348 1.706 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@H+](CCCCC#N)CC[C@H]21 ZINC000879571337 590806998 /nfs/dbraw/zinc/80/69/98/590806998.db2.gz PPZKMARMEWYZKD-CHWSQXEVSA-N 2 1 221.348 1.706 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCC#N)CC[C@H]21 ZINC000879571337 590807001 /nfs/dbraw/zinc/80/70/01/590807001.db2.gz PPZKMARMEWYZKD-CHWSQXEVSA-N 2 1 221.348 1.706 20 30 BDEDMP C[N@@H+]1CC[C@@H]2C[NH+](CC3(CC#N)CC3)CC[C@@H]21 ZINC000879578042 590814356 /nfs/dbraw/zinc/81/43/56/590814356.db2.gz AGXNASIUJAUYHS-OLZOCXBDSA-N 2 1 233.359 1.706 20 30 BDEDMP C[N@H+]1CC[C@@H]2C[NH+](CC3(CC#N)CC3)CC[C@@H]21 ZINC000879578042 590814358 /nfs/dbraw/zinc/81/43/58/590814358.db2.gz AGXNASIUJAUYHS-OLZOCXBDSA-N 2 1 233.359 1.706 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@H+](CC3(CC#N)CC3)CC[C@@H]21 ZINC000879578042 590814362 /nfs/dbraw/zinc/81/43/62/590814362.db2.gz AGXNASIUJAUYHS-OLZOCXBDSA-N 2 1 233.359 1.706 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@@H+](CC3(CC#N)CC3)CC[C@@H]21 ZINC000879578042 590814365 /nfs/dbraw/zinc/81/43/65/590814365.db2.gz AGXNASIUJAUYHS-OLZOCXBDSA-N 2 1 233.359 1.706 20 30 BDEDMP C=CCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879574284 590815048 /nfs/dbraw/zinc/81/50/48/590815048.db2.gz YZSWWTDFMJZRDL-CHWSQXEVSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879574284 590815051 /nfs/dbraw/zinc/81/50/51/590815051.db2.gz YZSWWTDFMJZRDL-CHWSQXEVSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879574284 590815055 /nfs/dbraw/zinc/81/50/55/590815055.db2.gz YZSWWTDFMJZRDL-CHWSQXEVSA-N 2 1 208.349 1.979 20 30 BDEDMP CC#CCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879583060 590819859 /nfs/dbraw/zinc/81/98/59/590819859.db2.gz VILXIYAAZYYLSK-OLZOCXBDSA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879583060 590819861 /nfs/dbraw/zinc/81/98/61/590819861.db2.gz VILXIYAAZYYLSK-OLZOCXBDSA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879583060 590819864 /nfs/dbraw/zinc/81/98/64/590819864.db2.gz VILXIYAAZYYLSK-OLZOCXBDSA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879583060 590819868 /nfs/dbraw/zinc/81/98/68/590819868.db2.gz VILXIYAAZYYLSK-OLZOCXBDSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580637 590822541 /nfs/dbraw/zinc/82/25/41/590822541.db2.gz ISVHWVQBZPAQPV-CHWSQXEVSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580637 590822544 /nfs/dbraw/zinc/82/25/44/590822544.db2.gz ISVHWVQBZPAQPV-CHWSQXEVSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580637 590822547 /nfs/dbraw/zinc/82/25/47/590822547.db2.gz ISVHWVQBZPAQPV-CHWSQXEVSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580637 590822549 /nfs/dbraw/zinc/82/25/49/590822549.db2.gz ISVHWVQBZPAQPV-CHWSQXEVSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474038 591054589 /nfs/dbraw/zinc/05/45/89/591054589.db2.gz BCSRUAKZLRWTID-UHFFFAOYSA-N 2 1 206.333 1.570 20 30 BDEDMP C#CC[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000886365454 592219327 /nfs/dbraw/zinc/21/93/27/592219327.db2.gz ISGWCJNZZUUJQN-CYBMUJFWSA-N 2 1 231.343 1.698 20 30 BDEDMP C#CC[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000886365454 592219329 /nfs/dbraw/zinc/21/93/29/592219329.db2.gz ISGWCJNZZUUJQN-CYBMUJFWSA-N 2 1 231.343 1.698 20 30 BDEDMP C#CCN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000886661432 592293704 /nfs/dbraw/zinc/29/37/04/592293704.db2.gz VAHWMILKNIYQCK-ZNMIVQPWSA-N 2 1 249.402 1.156 20 30 BDEDMP C#CCN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000886661432 592293707 /nfs/dbraw/zinc/29/37/07/592293707.db2.gz VAHWMILKNIYQCK-ZNMIVQPWSA-N 2 1 249.402 1.156 20 30 BDEDMP C#CCN1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000886661429 592294996 /nfs/dbraw/zinc/29/49/96/592294996.db2.gz VAHWMILKNIYQCK-ILXRZTDVSA-N 2 1 249.402 1.156 20 30 BDEDMP C#CCN1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000886661429 592294999 /nfs/dbraw/zinc/29/49/99/592294999.db2.gz VAHWMILKNIYQCK-ILXRZTDVSA-N 2 1 249.402 1.156 20 30 BDEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NCC(C)C)C1 ZINC000104179645 592603386 /nfs/dbraw/zinc/60/33/86/592603386.db2.gz AIOLHZQCOZOXHG-GFCCVEGCSA-N 2 1 240.395 1.279 20 30 BDEDMP C[NH+]1CCC(C[N@H+]2CCC[C@](C)(C#N)C2)CC1 ZINC000893527948 634563973 /nfs/dbraw/zinc/56/39/73/634563973.db2.gz SSLSHQJAHKOMKJ-CQSZACIVSA-N 2 1 235.375 1.954 20 30 BDEDMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000259874359 635264798 /nfs/dbraw/zinc/26/47/98/635264798.db2.gz CVYQREZYWKFPSG-ZDUSSCGKSA-N 2 1 235.375 1.954 20 30 BDEDMP C[C@H](C#N)C[N@@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000892193333 631769800 /nfs/dbraw/zinc/76/98/00/631769800.db2.gz DLPKKTYANBWWOX-GFCCVEGCSA-N 2 1 235.375 1.952 20 30 BDEDMP C=CC[C@H]1CC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000934470644 631863657 /nfs/dbraw/zinc/86/36/57/631863657.db2.gz PDDHVDRDENJOES-QWHCGFSZSA-N 2 1 224.348 1.094 20 30 BDEDMP C=CC[C@H]1CC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000934470644 631863662 /nfs/dbraw/zinc/86/36/62/631863662.db2.gz PDDHVDRDENJOES-QWHCGFSZSA-N 2 1 224.348 1.094 20 30 BDEDMP CCCC[N@@H+](C)CCNC(NC1CC1)=[NH+]C ZINC000849005848 631907054 /nfs/dbraw/zinc/90/70/54/631907054.db2.gz XEGATCCOBXBAHL-UHFFFAOYSA-N 2 1 226.368 1.046 20 30 BDEDMP CC[N@@H+]1CC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000051814164 631942554 /nfs/dbraw/zinc/94/25/54/631942554.db2.gz NUWAZIRJOYBWFA-INIZCTEOSA-N 2 1 242.366 1.970 20 30 BDEDMP CC[N@H+]1CC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000051814164 631942559 /nfs/dbraw/zinc/94/25/59/631942559.db2.gz NUWAZIRJOYBWFA-INIZCTEOSA-N 2 1 242.366 1.970 20 30 BDEDMP C#CCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000308896418 633826426 /nfs/dbraw/zinc/82/64/26/633826426.db2.gz IZHQNVHVTGUJGQ-CYBMUJFWSA-N 2 1 206.333 1.427 20 30 BDEDMP C#CCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000308896418 633826429 /nfs/dbraw/zinc/82/64/29/633826429.db2.gz IZHQNVHVTGUJGQ-CYBMUJFWSA-N 2 1 206.333 1.427 20 30 BDEDMP C#CCCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000308896418 633826432 /nfs/dbraw/zinc/82/64/32/633826432.db2.gz IZHQNVHVTGUJGQ-CYBMUJFWSA-N 2 1 206.333 1.427 20 30 BDEDMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@H]21 ZINC000931277583 640130009 /nfs/dbraw/zinc/13/00/09/640130009.db2.gz LZPXAOPOPPPHNW-KVSVUVNWSA-N 2 1 219.332 1.170 20 30 BDEDMP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@H]21 ZINC000931277583 640130012 /nfs/dbraw/zinc/13/00/12/640130012.db2.gz LZPXAOPOPPPHNW-KVSVUVNWSA-N 2 1 219.332 1.170 20 30 BDEDMP C#CCCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515351 640242315 /nfs/dbraw/zinc/24/23/15/640242315.db2.gz VOUDZPXJYXUZDN-UHFFFAOYSA-N 2 1 215.300 1.435 20 30 BDEDMP C#CCCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515351 640242325 /nfs/dbraw/zinc/24/23/25/640242325.db2.gz VOUDZPXJYXUZDN-UHFFFAOYSA-N 2 1 215.300 1.435 20 30 BDEDMP C#CC[N@H+](CCn1ccnc1C)C(C)C ZINC000932387748 640514887 /nfs/dbraw/zinc/51/48/87/640514887.db2.gz JTWZKHCYYIFQPK-UHFFFAOYSA-N 2 1 205.305 1.535 20 30 BDEDMP C#CC[N@@H+](CCn1cc[nH+]c1C)C(C)C ZINC000932387748 640514895 /nfs/dbraw/zinc/51/48/95/640514895.db2.gz JTWZKHCYYIFQPK-UHFFFAOYSA-N 2 1 205.305 1.535 20 30 BDEDMP C#CC[N@H+](CCn1cc[nH+]c1C)C(C)C ZINC000932387748 640514902 /nfs/dbraw/zinc/51/49/02/640514902.db2.gz JTWZKHCYYIFQPK-UHFFFAOYSA-N 2 1 205.305 1.535 20 30 BDEDMP C#CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC000932461511 640532873 /nfs/dbraw/zinc/53/28/73/640532873.db2.gz DRCIYQASKOVBNJ-ZDUSSCGKSA-N 2 1 240.391 1.421 20 30 BDEDMP C#CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C(C)(C)C ZINC000932461511 640532875 /nfs/dbraw/zinc/53/28/75/640532875.db2.gz DRCIYQASKOVBNJ-ZDUSSCGKSA-N 2 1 240.391 1.421 20 30 BDEDMP C#CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C(C)(C)C ZINC000932461511 640532881 /nfs/dbraw/zinc/53/28/81/640532881.db2.gz DRCIYQASKOVBNJ-ZDUSSCGKSA-N 2 1 240.391 1.421 20 30 BDEDMP C#CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C(C)(C)C ZINC000932461511 640532884 /nfs/dbraw/zinc/53/28/84/640532884.db2.gz DRCIYQASKOVBNJ-ZDUSSCGKSA-N 2 1 240.391 1.421 20 30 BDEDMP C#CCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181305205 642861108 /nfs/dbraw/zinc/86/11/08/642861108.db2.gz YBHPAMSOFYONND-CHWSQXEVSA-N 2 1 208.349 1.862 20 30 BDEDMP CCCNC(=[NH2+])NCCC[N@H+]1CCCC[C@H]1C ZINC000198938008 644127281 /nfs/dbraw/zinc/12/72/81/644127281.db2.gz SPKQUFJBMBRKAC-GFCCVEGCSA-N 2 1 240.395 1.565 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000923387949 644399132 /nfs/dbraw/zinc/39/91/32/644399132.db2.gz PDTOSEXNPPTRHL-RDBSUJKOSA-N 2 1 240.391 1.763 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000923387257 644399279 /nfs/dbraw/zinc/39/92/79/644399279.db2.gz HWVLSZOIWCAPQM-IHRRRGAJSA-N 2 1 238.375 1.374 20 30 BDEDMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])NC2CC2)C1 ZINC000303267811 644814010 /nfs/dbraw/zinc/81/40/10/644814010.db2.gz XUBWBVAZTCEUOQ-NSHDSACASA-N 2 1 238.379 1.174 20 30 BDEDMP CCNC(NCC[N@@H+](C)[C@@H](C)CC)=[NH+]CC ZINC000303391444 644820249 /nfs/dbraw/zinc/82/02/49/644820249.db2.gz DWKUNPLXXFENOD-NSHDSACASA-N 2 1 228.384 1.292 20 30 BDEDMP CC[C@@H](C)[N@@H+](C)CCNC(NC1CC1)=[NH+]C ZINC000303408252 644822352 /nfs/dbraw/zinc/82/23/52/644822352.db2.gz TUWUDVFZDYLSLM-SNVBAGLBSA-N 2 1 226.368 1.044 20 30 BDEDMP CC(C)NC(=[NH2+])NCC[N@@H+](C)C1CCCCC1 ZINC000303902963 644856314 /nfs/dbraw/zinc/85/63/14/644856314.db2.gz UISBEDOOYMBRIJ-UHFFFAOYSA-N 2 1 240.395 1.564 20 30 BDEDMP CC[N@@H+](CCNC(=[NH2+])NCC(C)C)C(C)C ZINC000303977902 644862321 /nfs/dbraw/zinc/86/23/21/644862321.db2.gz LSGWSTSOTUORMF-UHFFFAOYSA-N 2 1 228.384 1.277 20 30 BDEDMP C=CCSCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925592874 646348781 /nfs/dbraw/zinc/34/87/81/646348781.db2.gz ZFEDIZKCCWNCEU-JTQLQIEISA-N 2 1 214.378 1.636 20 30 BDEDMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000925689087 646414216 /nfs/dbraw/zinc/41/42/16/646414216.db2.gz ATOGLHQRGHUDRL-WDEREUQCSA-N 2 1 209.337 1.656 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925696645 646421768 /nfs/dbraw/zinc/42/17/68/646421768.db2.gz YDEMPRMWRQKCPZ-FRRDWIJNSA-N 2 1 236.359 1.594 20 30 BDEDMP C=C(C)C[C@@H](CO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000925772799 646473039 /nfs/dbraw/zinc/47/30/39/646473039.db2.gz UQNRHBFOCQTDAC-WOPDTQHZSA-N 2 1 212.337 1.044 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccncc1C ZINC000384850947 710998607 /nfs/dbraw/zinc/99/86/07/710998607.db2.gz LLBCIPMTTSPECK-UHFFFAOYSA-N 2 1 231.343 1.435 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccncc1C ZINC000384850947 710998611 /nfs/dbraw/zinc/99/86/11/710998611.db2.gz LLBCIPMTTSPECK-UHFFFAOYSA-N 2 1 231.343 1.435 20 30 BDEDMP C[N@H+]1CC[C@@H]2C[NH+](CCCC#N)C[C@@H]2C1 ZINC000389654592 711084789 /nfs/dbraw/zinc/08/47/89/711084789.db2.gz YEQAUEBTFUMIQS-NEPJUHHUSA-N 2 1 207.321 1.174 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@H+](CCCC#N)C[C@@H]2C1 ZINC000389654592 711084792 /nfs/dbraw/zinc/08/47/92/711084792.db2.gz YEQAUEBTFUMIQS-NEPJUHHUSA-N 2 1 207.321 1.174 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCCC#N)C[C@@H]2C1 ZINC000389654592 711084795 /nfs/dbraw/zinc/08/47/95/711084795.db2.gz YEQAUEBTFUMIQS-NEPJUHHUSA-N 2 1 207.321 1.174 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCSC1 ZINC000382185080 710837116 /nfs/dbraw/zinc/83/71/16/710837116.db2.gz GWOQJHOAFDLDFI-NSHDSACASA-N 2 1 212.362 1.037 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCSC1 ZINC000382185080 710837120 /nfs/dbraw/zinc/83/71/20/710837120.db2.gz GWOQJHOAFDLDFI-NSHDSACASA-N 2 1 212.362 1.037 20 30 BDEDMP N#Cc1ccccc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723711508 711535570 /nfs/dbraw/zinc/53/55/70/711535570.db2.gz BMYMIGMWLRPAKL-LBPRGKRZSA-N 2 1 229.327 1.729 20 30 BDEDMP C=CCOCCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000700850089 712008557 /nfs/dbraw/zinc/00/85/57/712008557.db2.gz ZNCWZGZGHHIXQS-RYUDHWBXSA-N 2 1 212.337 1.309 20 30 BDEDMP C=CC[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000703665610 712083205 /nfs/dbraw/zinc/08/32/05/712083205.db2.gz QKCYMGGQFMSERQ-ZJUUUORDSA-N 2 1 218.291 1.867 20 30 BDEDMP C=CC[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000703665610 712083206 /nfs/dbraw/zinc/08/32/06/712083206.db2.gz QKCYMGGQFMSERQ-ZJUUUORDSA-N 2 1 218.291 1.867 20 30 BDEDMP C#CCCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705643085 712134121 /nfs/dbraw/zinc/13/41/21/712134121.db2.gz VCBDMTFHVNQOSO-ZIAGYGMSSA-N 2 1 220.360 1.673 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCSCC1 ZINC000709575358 712224900 /nfs/dbraw/zinc/22/49/00/712224900.db2.gz CXOHNXUSRRNHKK-CYBMUJFWSA-N 2 1 240.416 1.817 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCSCC1 ZINC000709575358 712224902 /nfs/dbraw/zinc/22/49/02/712224902.db2.gz CXOHNXUSRRNHKK-CYBMUJFWSA-N 2 1 240.416 1.817 20 30 BDEDMP N#CC1CCC(C[N@@H+]2CC[C@@H](CC[NH3+])C2)CC1 ZINC000923480118 712334224 /nfs/dbraw/zinc/33/42/24/712334224.db2.gz VTMLUMNACPXVQF-JXQTWKCFSA-N 2 1 235.375 1.987 20 30 BDEDMP C=CC[C@H](C)[N@H+](C)CCOCC[NH2+]C ZINC000715053689 712505415 /nfs/dbraw/zinc/50/54/15/712505415.db2.gz OAHWPBGVHQJECH-NSHDSACASA-N 2 1 200.326 1.119 20 30 BDEDMP C#CC[C@@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000716846032 712578241 /nfs/dbraw/zinc/57/82/41/712578241.db2.gz JXECIAGXRFTVNR-FUDCBSFHSA-N 2 1 236.359 1.240 20 30 BDEDMP C=C[C@@](C)(O)CN1CCC([N@H+](C)CC)CC1 ZINC001252556066 968800981 /nfs/dbraw/zinc/80/09/81/968800981.db2.gz DITVQCGGDNPKSQ-CYBMUJFWSA-N 2 1 226.364 1.340 20 30 BDEDMP C=C[C@@](C)(O)C[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001252556066 968800982 /nfs/dbraw/zinc/80/09/82/968800982.db2.gz DITVQCGGDNPKSQ-CYBMUJFWSA-N 2 1 226.364 1.340 20 30 BDEDMP C=C[C@@](C)(O)C[NH+]1CCC([N@H+](C)CC)CC1 ZINC001252556066 968800988 /nfs/dbraw/zinc/80/09/88/968800988.db2.gz DITVQCGGDNPKSQ-CYBMUJFWSA-N 2 1 226.364 1.340 20 30 BDEDMP C[N@H+]1CCC[C@@H]([NH2+]CC(C)(C)S)CC1 ZINC001254509316 969684360 /nfs/dbraw/zinc/68/43/60/969684360.db2.gz YROGANIHIYESSS-SNVBAGLBSA-N 2 1 216.394 1.769 20 30 BDEDMP C[N@H+]1CCC[C@H]([NH2+]CC(C)(C)S)CC1 ZINC001254509315 969682177 /nfs/dbraw/zinc/68/21/77/969682177.db2.gz YROGANIHIYESSS-JTQLQIEISA-N 2 1 216.394 1.769 20 30 BDEDMP C#CC1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254529802 969728523 /nfs/dbraw/zinc/72/85/23/969728523.db2.gz QVPVRQFKLXNYJL-AWEZNQCLSA-N 2 1 220.360 1.816 20 30 BDEDMP C[NH+](C)CCC[N@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC001254654486 969766526 /nfs/dbraw/zinc/76/65/26/969766526.db2.gz UWKCUAPPYSELDG-RYUDHWBXSA-N 2 1 209.337 1.562 20 30 BDEDMP C[NH+](C)CCC[N@@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC001254654486 969766534 /nfs/dbraw/zinc/76/65/34/969766534.db2.gz UWKCUAPPYSELDG-RYUDHWBXSA-N 2 1 209.337 1.562 20 30 BDEDMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@@H](C#N)C1 ZINC001254676846 969784937 /nfs/dbraw/zinc/78/49/37/969784937.db2.gz OJTNEVQKVBGESK-CHWSQXEVSA-N 2 1 223.364 1.952 20 30 BDEDMP Cc1ccc(CC#N)c(N2CC[C@](F)(C[NH3+])C2)[nH+]1 ZINC001157817752 970821385 /nfs/dbraw/zinc/82/13/85/970821385.db2.gz YGHMWXFXLIKUSE-ZDUSSCGKSA-N 2 1 248.305 1.333 20 30 BDEDMP C#CC[N@H+](C)CCCNCc1cc(C)ns1 ZINC000404420273 971161166 /nfs/dbraw/zinc/16/11/66/971161166.db2.gz RKSBTAPIOZBEQB-UHFFFAOYSA-N 2 1 237.372 1.496 20 30 BDEDMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)C[NH2+]1 ZINC001246206769 972217093 /nfs/dbraw/zinc/21/70/93/972217093.db2.gz SOICCEKLWMCOQG-FVCCEPFGSA-N 2 1 221.348 1.799 20 30 BDEDMP N#Cc1ccc([C@@H](O)C[NH+]2CCC([NH3+])CC2)cc1 ZINC000402157694 957077145 /nfs/dbraw/zinc/07/71/45/957077145.db2.gz OUYMWDQXAGVKSL-AWEZNQCLSA-N 2 1 245.326 1.015 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000689825928 958341555 /nfs/dbraw/zinc/34/15/55/958341555.db2.gz BENUFGHDEWDLAW-KBPBESRZSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000689825928 958341564 /nfs/dbraw/zinc/34/15/64/958341564.db2.gz BENUFGHDEWDLAW-KBPBESRZSA-N 2 1 238.375 1.346 20 30 BDEDMP C=C(C)CNc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001163374362 965380232 /nfs/dbraw/zinc/38/02/32/965380232.db2.gz SHRZIZMXJVXCMV-UHFFFAOYSA-N 2 1 232.331 1.479 20 30 BDEDMP C=CC(NCC[C@@H]1CCC[N@@H+](C)C1)=[NH+]COC ZINC001165273662 966016662 /nfs/dbraw/zinc/01/66/62/966016662.db2.gz TXYJBTVPDGIRHX-LBPRGKRZSA-N 2 1 239.363 1.496 20 30 BDEDMP C#C[C@@](C)(CC)[NH2+]CCCn1cc[nH+]c1C ZINC000699673872 966031655 /nfs/dbraw/zinc/03/16/55/966031655.db2.gz TVEAJRNOUVWTSL-ZDUSSCGKSA-N 2 1 219.332 1.973 20 30 BDEDMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(C#N)cn2)CC1 ZINC001205281148 967472398 /nfs/dbraw/zinc/47/23/98/967472398.db2.gz QJQVTCNHSYJOKR-AWEZNQCLSA-N 2 1 244.342 1.657 20 30 BDEDMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(C#N)cn2)CC1 ZINC001205281148 967472402 /nfs/dbraw/zinc/47/24/02/967472402.db2.gz QJQVTCNHSYJOKR-AWEZNQCLSA-N 2 1 244.342 1.657 20 30 BDEDMP C[C@]1([NH3+])CCC[N@H+](Cc2cc(C#N)ccn2)CC1 ZINC001205280523 967473274 /nfs/dbraw/zinc/47/32/74/967473274.db2.gz BJNDQFGQPKCRBX-AWEZNQCLSA-N 2 1 244.342 1.657 20 30 BDEDMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(C#N)ccn2)CC1 ZINC001205280523 967473286 /nfs/dbraw/zinc/47/32/86/967473286.db2.gz BJNDQFGQPKCRBX-AWEZNQCLSA-N 2 1 244.342 1.657 20 30 BDEDMP C[C@]1([NH3+])CCC[N@H+](Cc2ccnc(C#N)c2)CC1 ZINC001205287773 967482587 /nfs/dbraw/zinc/48/25/87/967482587.db2.gz BVPGWBQAGZOGAO-AWEZNQCLSA-N 2 1 244.342 1.657 20 30 BDEDMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccnc(C#N)c2)CC1 ZINC001205287773 967482606 /nfs/dbraw/zinc/48/26/06/967482606.db2.gz BVPGWBQAGZOGAO-AWEZNQCLSA-N 2 1 244.342 1.657 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206156987 968093215 /nfs/dbraw/zinc/09/32/15/968093215.db2.gz VGAICSNCZPXTQK-KGLIPLIRSA-N 2 1 247.317 1.819 20 30 BDEDMP N#Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206156987 968093227 /nfs/dbraw/zinc/09/32/27/968093227.db2.gz VGAICSNCZPXTQK-KGLIPLIRSA-N 2 1 247.317 1.819 20 30 BDEDMP C=CCC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001252615269 968873641 /nfs/dbraw/zinc/87/36/41/968873641.db2.gz YDVCNZCKYNOORY-CHWSQXEVSA-N 2 1 226.364 1.245 20 30 BDEDMP C=CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001252625302 968886095 /nfs/dbraw/zinc/88/60/95/968886095.db2.gz VGOXWTOGVRDSHI-RWMBFGLXSA-N 2 1 226.364 1.243 20 30 BDEDMP C=CCCC[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209163896 969366246 /nfs/dbraw/zinc/36/62/46/969366246.db2.gz LLZSUPNIAKUUML-CHWSQXEVSA-N 2 1 208.349 1.836 20 30 BDEDMP C=CCCCC[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001209207758 969397372 /nfs/dbraw/zinc/39/73/72/969397372.db2.gz FPBDFGFUALTFCQ-UHFFFAOYSA-N 2 1 237.391 1.274 20 30 BDEDMP C=CCO[C@H]1CC[N@H+](CCCn2ccnc2C)C1 ZINC001254557576 969736651 /nfs/dbraw/zinc/73/66/51/969736651.db2.gz SAWAOGKVYQHLLX-AWEZNQCLSA-N 2 1 249.358 1.859 20 30 BDEDMP C=CCO[C@H]1CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC001254557576 969736658 /nfs/dbraw/zinc/73/66/58/969736658.db2.gz SAWAOGKVYQHLLX-AWEZNQCLSA-N 2 1 249.358 1.859 20 30 BDEDMP C=CCO[C@H]1CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC001254557576 969736671 /nfs/dbraw/zinc/73/66/71/969736671.db2.gz SAWAOGKVYQHLLX-AWEZNQCLSA-N 2 1 249.358 1.859 20 30 BDEDMP CC[N@H+]1CCC[C@@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000303886671 970541571 /nfs/dbraw/zinc/54/15/71/970541571.db2.gz NVUBCSSMQNXHCV-NSHDSACASA-N 2 1 240.395 1.421 20 30 BDEDMP C[NH+]1CCC([NH2+][C@H]2CC[C@@H](C#N)CC2)CC1 ZINC001256195419 970689738 /nfs/dbraw/zinc/68/97/38/970689738.db2.gz TVMAFKUGQHILDU-TXEJJXNPSA-N 2 1 221.348 1.753 20 30 BDEDMP N#CC[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246798288 973105471 /nfs/dbraw/zinc/10/54/71/973105471.db2.gz QSTIIXMJPLWVHZ-ICIURTGMSA-N 2 1 233.359 1.895 20 30 BDEDMP N#CCOc1cccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC001329022776 973433304 /nfs/dbraw/zinc/43/33/04/973433304.db2.gz DWXQHNZIINPLJC-KGLIPLIRSA-N 2 1 245.326 1.558 20 30 BDEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001172302879 974518226 /nfs/dbraw/zinc/51/82/26/974518226.db2.gz RRIZAULSIPAMFI-WFASDCNBSA-N 2 1 243.354 1.912 20 30 BDEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1C[NH3+] ZINC001172302879 974518229 /nfs/dbraw/zinc/51/82/29/974518229.db2.gz RRIZAULSIPAMFI-WFASDCNBSA-N 2 1 243.354 1.912 20 30 BDEDMP C[C@@H](CCCC#N)[NH2+]C1CC[NH+](C)CC1 ZINC001172477386 974774808 /nfs/dbraw/zinc/77/48/08/974774808.db2.gz YYFQDKFFABRCBZ-NSHDSACASA-N 2 1 209.337 1.753 20 30 BDEDMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC001345105765 980549598 /nfs/dbraw/zinc/54/95/98/980549598.db2.gz UAGNEEFEKKUTSP-LLVKDONJSA-N 2 1 247.342 1.654 20 30 BDEDMP C=CCNCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205604013 981175012 /nfs/dbraw/zinc/17/50/12/981175012.db2.gz UDQBGPRCMQRYJB-CHWSQXEVSA-N 2 1 225.380 1.069 20 30 BDEDMP C=CCNCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205604013 981175007 /nfs/dbraw/zinc/17/50/07/981175007.db2.gz UDQBGPRCMQRYJB-CHWSQXEVSA-N 2 1 225.380 1.069 20 30 BDEDMP C=CCC[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001252615308 983850452 /nfs/dbraw/zinc/85/04/52/983850452.db2.gz YMJMQXQSOJYJET-CRWXNKLISA-N 2 1 238.375 1.528 20 30 BDEDMP C[N@@H+](CCOc1ccccc1C#N)C1CC([NH3+])C1 ZINC001578476613 985110408 /nfs/dbraw/zinc/11/04/08/985110408.db2.gz DGFUJDQGSYCLPT-UHFFFAOYSA-N 2 1 245.326 1.359 20 30 BDEDMP COCC#CC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001578948581 985563027 /nfs/dbraw/zinc/56/30/27/985563027.db2.gz CGRHUXXMNBCXRK-CQSZACIVSA-N 2 1 236.359 1.102 20 30 BDEDMP COCC#CC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001578948581 985563083 /nfs/dbraw/zinc/56/30/83/985563083.db2.gz CGRHUXXMNBCXRK-CQSZACIVSA-N 2 1 236.359 1.102 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CO[C@@H](CC)C1 ZINC000688458786 985646239 /nfs/dbraw/zinc/64/62/39/985646239.db2.gz UXTHNDTZQXDUDO-OLZOCXBDSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CO[C@@H](CC)C1 ZINC000688458786 985646248 /nfs/dbraw/zinc/64/62/48/985646248.db2.gz UXTHNDTZQXDUDO-OLZOCXBDSA-N 2 1 224.348 1.099 20 30 BDEDMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC001579499201 986031077 /nfs/dbraw/zinc/03/10/77/986031077.db2.gz DIQMBYGYCDKZNP-FDYHWXHSSA-N 2 1 221.348 1.799 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246019740 987307564 /nfs/dbraw/zinc/30/75/64/987307564.db2.gz JSEDGZWHFCRQGV-CHWSQXEVSA-N 2 1 226.364 1.517 20 30 BDEDMP C=C[C@@](C)(O)C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246029403 987330893 /nfs/dbraw/zinc/33/08/93/987330893.db2.gz FIAVFXPDCPQKIB-OLZOCXBDSA-N 2 1 224.348 1.141 20 30 BDEDMP C=C[C@@](C)(O)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246029403 987330897 /nfs/dbraw/zinc/33/08/97/987330897.db2.gz FIAVFXPDCPQKIB-OLZOCXBDSA-N 2 1 224.348 1.141 20 30 BDEDMP C=C[C@](C)(O)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246035137 987338754 /nfs/dbraw/zinc/33/87/54/987338754.db2.gz ZJMWZXCAXUZAPH-QWHCGFSZSA-N 2 1 224.348 1.141 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246053793 987346067 /nfs/dbraw/zinc/34/60/67/987346067.db2.gz VCSPQXOHOFJANP-HZSPNIEDSA-N 2 1 238.375 1.245 20 30 BDEDMP C=CCC[C@@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246153430 987514166 /nfs/dbraw/zinc/51/41/66/987514166.db2.gz RTZZGEBISJFILH-NEPJUHHUSA-N 2 1 242.363 1.601 20 30 BDEDMP CCCCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246296705 987690950 /nfs/dbraw/zinc/69/09/50/987690950.db2.gz CEGUDOJMGWHLIP-BFHYXJOUSA-N 2 1 242.407 1.905 20 30 BDEDMP C=CC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246358030 987766791 /nfs/dbraw/zinc/76/67/91/987766791.db2.gz BXZZWBCFNXTRNZ-MCIONIFRSA-N 2 1 237.391 1.367 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001246545754 987916572 /nfs/dbraw/zinc/91/65/72/987916572.db2.gz DABJLLCTYJAQHZ-AGIUHOORSA-N 2 1 239.338 1.832 20 30 BDEDMP CC[C@H](CC#N)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246555440 987966283 /nfs/dbraw/zinc/96/62/83/987966283.db2.gz FEXHKZXBRXEYMK-FRRDWIJNSA-N 2 1 223.364 1.985 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)C1 ZINC001246558458 987975552 /nfs/dbraw/zinc/97/55/52/987975552.db2.gz LBOJPUFCJBUUBS-MXWKQRLJSA-N 2 1 243.301 1.595 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)C1 ZINC001246558458 987975571 /nfs/dbraw/zinc/97/55/71/987975571.db2.gz LBOJPUFCJBUUBS-MXWKQRLJSA-N 2 1 243.301 1.595 20 30 BDEDMP C[C@@H](CCCC#N)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246564156 988007503 /nfs/dbraw/zinc/00/75/03/988007503.db2.gz WBWHLAIZEPGEMH-STQMWFEESA-N 2 1 239.363 1.244 20 30 BDEDMP CC1(C#N)CCC([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246872461 988636926 /nfs/dbraw/zinc/63/69/26/988636926.db2.gz SARCNOATPZYCPC-WTIISPKJSA-N 2 1 219.332 1.492 20 30 BDEDMP CC1(C#N)CCC([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246872461 988636946 /nfs/dbraw/zinc/63/69/46/988636946.db2.gz SARCNOATPZYCPC-WTIISPKJSA-N 2 1 219.332 1.492 20 30 BDEDMP C=CCO[C@@H]1CC[N@H+](CCn2ccnc2C)C1 ZINC001320037522 992083337 /nfs/dbraw/zinc/08/33/37/992083337.db2.gz GWMRWMMDZPVUAN-CYBMUJFWSA-N 2 1 235.331 1.468 20 30 BDEDMP CCC#C[C@@H](C)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001576924278 993455040 /nfs/dbraw/zinc/45/50/40/993455040.db2.gz XWRDPXSJCDEGAR-CHWSQXEVSA-N 2 1 208.349 1.720 20 30 BDEDMP CCC#C[C@@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001576924278 993455042 /nfs/dbraw/zinc/45/50/42/993455042.db2.gz XWRDPXSJCDEGAR-CHWSQXEVSA-N 2 1 208.349 1.720 20 30 BDEDMP C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000602546493 349589508 /nfs/dbraw/zinc/58/95/08/349589508.db2.gz DJCZJVJYAYGOQT-CHWSQXEVSA-N 2 1 223.364 1.858 20 30 BDEDMP C[C@H](CCC#N)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000602592454 349615013 /nfs/dbraw/zinc/61/50/13/349615013.db2.gz RFGGNBHDSCJJSB-MGPQQGTHSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000602592454 349615017 /nfs/dbraw/zinc/61/50/17/349615017.db2.gz RFGGNBHDSCJJSB-MGPQQGTHSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000602592454 349615021 /nfs/dbraw/zinc/61/50/21/349615021.db2.gz RFGGNBHDSCJJSB-MGPQQGTHSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000602592454 349615023 /nfs/dbraw/zinc/61/50/23/349615023.db2.gz RFGGNBHDSCJJSB-MGPQQGTHSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000602640260 349653026 /nfs/dbraw/zinc/65/30/26/349653026.db2.gz LJHABIFHGJJBNI-UPJWGTAASA-N 2 1 221.348 1.420 20 30 BDEDMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000127138183 343360962 /nfs/dbraw/zinc/36/09/62/343360962.db2.gz JRDILNPETJYMEW-AAEUAGOBSA-N 2 1 229.327 1.727 20 30 BDEDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000127138183 343360965 /nfs/dbraw/zinc/36/09/65/343360965.db2.gz JRDILNPETJYMEW-AAEUAGOBSA-N 2 1 229.327 1.727 20 30 BDEDMP C=CCSCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252732853 343785673 /nfs/dbraw/zinc/78/56/73/343785673.db2.gz WVFKNJNGFQMWOL-VXGBXAGGSA-N 2 1 228.405 1.835 20 30 BDEDMP C=CCCOCC[NH2+]C1CC[NH+](C)CC1 ZINC000090883766 343944015 /nfs/dbraw/zinc/94/40/15/343944015.db2.gz IPYNXMQEVYDWHE-UHFFFAOYSA-N 2 1 212.337 1.263 20 30 BDEDMP C=CC[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000625704645 344049777 /nfs/dbraw/zinc/04/97/77/344049777.db2.gz ZFWZVPXBACERIF-CHWSQXEVSA-N 2 1 226.364 1.197 20 30 BDEDMP C=CC[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000625704645 344049778 /nfs/dbraw/zinc/04/97/78/344049778.db2.gz ZFWZVPXBACERIF-CHWSQXEVSA-N 2 1 226.364 1.197 20 30 BDEDMP C=CC[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000625704645 344049780 /nfs/dbraw/zinc/04/97/80/344049780.db2.gz ZFWZVPXBACERIF-CHWSQXEVSA-N 2 1 226.364 1.197 20 30 BDEDMP C[N@H+]1CC[C@]2(CCN(CCCC#N)C2)C1 ZINC000335571597 345400280 /nfs/dbraw/zinc/40/02/80/345400280.db2.gz NNBLBVMTHGBABY-LBPRGKRZSA-N 2 1 207.321 1.318 20 30 BDEDMP C[N@@H+]1CC[C@]2(CC[NH+](CCCC#N)C2)C1 ZINC000335571597 345400284 /nfs/dbraw/zinc/40/02/84/345400284.db2.gz NNBLBVMTHGBABY-LBPRGKRZSA-N 2 1 207.321 1.318 20 30 BDEDMP C[N@H+]1CC[C@]2(CC[NH+](CCCC#N)C2)C1 ZINC000335571597 345400286 /nfs/dbraw/zinc/40/02/86/345400286.db2.gz NNBLBVMTHGBABY-LBPRGKRZSA-N 2 1 207.321 1.318 20 30 BDEDMP C[NH+]1CC[C@]2(CC[N@H+](CCCC#N)C2)C1 ZINC000335571597 345400288 /nfs/dbraw/zinc/40/02/88/345400288.db2.gz NNBLBVMTHGBABY-LBPRGKRZSA-N 2 1 207.321 1.318 20 30 BDEDMP N#CCCOCC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000590159161 346783104 /nfs/dbraw/zinc/78/31/04/346783104.db2.gz XWETUTIMCDZPDF-ZDUSSCGKSA-N 2 1 248.330 1.450 20 30 BDEDMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591578180 347678056 /nfs/dbraw/zinc/67/80/56/347678056.db2.gz KVPFBWQWWSJPCY-QMTHXVAHSA-N 2 1 229.327 1.872 20 30 BDEDMP C[C@H]([NH3+])C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591581449 347678700 /nfs/dbraw/zinc/67/87/00/347678700.db2.gz WZWJCSIFNRYKLY-HZMBPMFUSA-N 2 1 229.327 1.872 20 30 BDEDMP Cn1c[nH+]cc1CCC[N@H+](C)CC(C)(C)C#N ZINC000593993889 347981532 /nfs/dbraw/zinc/98/15/32/347981532.db2.gz PSSFSHXBWLFKIL-UHFFFAOYSA-N 2 1 234.347 1.834 20 30 BDEDMP Cn1c[nH+]cc1CCC[N@@H+](C)CC(C)(C)C#N ZINC000593993889 347981536 /nfs/dbraw/zinc/98/15/36/347981536.db2.gz PSSFSHXBWLFKIL-UHFFFAOYSA-N 2 1 234.347 1.834 20 30 BDEDMP N#Cc1ccc(CC[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000595891753 348390823 /nfs/dbraw/zinc/39/08/23/348390823.db2.gz NQCDNOIQCWHVOE-CQSZACIVSA-N 2 1 229.327 1.524 20 30 BDEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000595891753 348390824 /nfs/dbraw/zinc/39/08/24/348390824.db2.gz NQCDNOIQCWHVOE-CQSZACIVSA-N 2 1 229.327 1.524 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365404077 350267885 /nfs/dbraw/zinc/26/78/85/350267885.db2.gz OIYVWYMNTKJFFV-KGLIPLIRSA-N 2 1 240.391 1.730 20 30 BDEDMP C=CCCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336659364 350422807 /nfs/dbraw/zinc/42/28/07/350422807.db2.gz NBSZWAOBUKDDMD-CYBMUJFWSA-N 2 1 226.364 1.340 20 30 BDEDMP C=CCCC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336659364 350422809 /nfs/dbraw/zinc/42/28/09/350422809.db2.gz NBSZWAOBUKDDMD-CYBMUJFWSA-N 2 1 226.364 1.340 20 30 BDEDMP C=CCCC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336659364 350422810 /nfs/dbraw/zinc/42/28/10/350422810.db2.gz NBSZWAOBUKDDMD-CYBMUJFWSA-N 2 1 226.364 1.340 20 30 BDEDMP C=CCCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336659364 350422812 /nfs/dbraw/zinc/42/28/12/350422812.db2.gz NBSZWAOBUKDDMD-CYBMUJFWSA-N 2 1 226.364 1.340 20 30 BDEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320361 363039363 /nfs/dbraw/zinc/03/93/63/363039363.db2.gz MQBKTLTURHAKHE-TUKIKUTGSA-N 2 1 241.338 1.770 20 30 BDEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320361 363039370 /nfs/dbraw/zinc/03/93/70/363039370.db2.gz MQBKTLTURHAKHE-TUKIKUTGSA-N 2 1 241.338 1.770 20 30 BDEDMP CC[NH+]1CCC([NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000232314899 352618727 /nfs/dbraw/zinc/61/87/27/352618727.db2.gz NBGWVIHCFTZCLD-UHFFFAOYSA-N 2 1 246.358 1.471 20 30 BDEDMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(C#N)c1 ZINC000049551960 356479999 /nfs/dbraw/zinc/47/99/99/356479999.db2.gz BUCHAWQTNSNAJR-LBPRGKRZSA-N 2 1 231.343 1.988 20 30 BDEDMP C=CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681748 356592763 /nfs/dbraw/zinc/59/27/63/356592763.db2.gz DSXWIVFRRFBKJA-UHFFFAOYSA-N 2 1 217.316 1.780 20 30 BDEDMP CC[C@@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCC[NH2+]1 ZINC000423096758 192567556 /nfs/dbraw/zinc/56/75/56/192567556.db2.gz PTGFNHODMIGAAP-NEPJUHHUSA-N 2 1 221.348 1.800 20 30 BDEDMP C=C(C)[C@H](CO)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757476 356663947 /nfs/dbraw/zinc/66/39/47/356663947.db2.gz MNYCAIYDMTZCAX-ZDUSSCGKSA-N 2 1 238.375 1.341 20 30 BDEDMP C=C(C)CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761847 356679446 /nfs/dbraw/zinc/67/94/46/356679446.db2.gz FHCCHWXYJKAGPT-CYBMUJFWSA-N 2 1 226.364 1.341 20 30 BDEDMP C=C(C)CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761847 356679451 /nfs/dbraw/zinc/67/94/51/356679451.db2.gz FHCCHWXYJKAGPT-CYBMUJFWSA-N 2 1 226.364 1.341 20 30 BDEDMP C=CCC[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000352868302 134154851 /nfs/dbraw/zinc/15/48/51/134154851.db2.gz CVYQUAHSDMCVPY-CQSZACIVSA-N 2 1 237.391 1.274 20 30 BDEDMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000423165502 192603018 /nfs/dbraw/zinc/60/30/18/192603018.db2.gz YEQAFIYWLJYHGR-CYDGBPFRSA-N 2 1 221.348 1.656 20 30 BDEDMP C=CC[C@H]1CC[N@H+](Cc2cnc(N(C)C)n2C)C1 ZINC000628406189 357201686 /nfs/dbraw/zinc/20/16/86/357201686.db2.gz DLVQGIPSFDXNPN-LBPRGKRZSA-N 2 1 248.374 1.884 20 30 BDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134932347 358810476 /nfs/dbraw/zinc/81/04/76/358810476.db2.gz RBGSKUBWRZXTTO-TZMCWYRMSA-N 2 1 218.344 1.568 20 30 BDEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134932347 358810481 /nfs/dbraw/zinc/81/04/81/358810481.db2.gz RBGSKUBWRZXTTO-TZMCWYRMSA-N 2 1 218.344 1.568 20 30 BDEDMP C#CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134932347 358810485 /nfs/dbraw/zinc/81/04/85/358810485.db2.gz RBGSKUBWRZXTTO-TZMCWYRMSA-N 2 1 218.344 1.568 20 30 BDEDMP C#CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134932347 358810490 /nfs/dbraw/zinc/81/04/90/358810490.db2.gz RBGSKUBWRZXTTO-TZMCWYRMSA-N 2 1 218.344 1.568 20 30 BDEDMP C=CCC[C@H](O)C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000247647066 359238577 /nfs/dbraw/zinc/23/85/77/359238577.db2.gz WFGZFNKEIFGANT-MJBXVCDLSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247647066 359238580 /nfs/dbraw/zinc/23/85/80/359238580.db2.gz WFGZFNKEIFGANT-MJBXVCDLSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247647066 359238581 /nfs/dbraw/zinc/23/85/81/359238581.db2.gz WFGZFNKEIFGANT-MJBXVCDLSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247647066 359238583 /nfs/dbraw/zinc/23/85/83/359238583.db2.gz WFGZFNKEIFGANT-MJBXVCDLSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247647066 359238585 /nfs/dbraw/zinc/23/85/85/359238585.db2.gz WFGZFNKEIFGANT-MJBXVCDLSA-N 2 1 240.391 1.728 20 30 BDEDMP C=C(C)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248164089 359257068 /nfs/dbraw/zinc/25/70/68/359257068.db2.gz SPZGYZBEIGVFSE-STQMWFEESA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248164089 359257071 /nfs/dbraw/zinc/25/70/71/359257071.db2.gz SPZGYZBEIGVFSE-STQMWFEESA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248164089 359257074 /nfs/dbraw/zinc/25/70/74/359257074.db2.gz SPZGYZBEIGVFSE-STQMWFEESA-N 2 1 208.349 1.979 20 30 BDEDMP C=CC[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000629546506 361427462 /nfs/dbraw/zinc/42/74/62/361427462.db2.gz CZIBRLXVUTYXQM-OLZOCXBDSA-N 2 1 208.349 1.884 20 30 BDEDMP C=C(C)COCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000161881596 201214873 /nfs/dbraw/zinc/21/48/73/201214873.db2.gz QJWWQYBIRTYLEQ-QWHCGFSZSA-N 2 1 226.364 1.651 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000579728282 366995309 /nfs/dbraw/zinc/99/53/09/366995309.db2.gz FJRFRCKYOZPNIV-KGLIPLIRSA-N 2 1 249.358 1.676 20 30 BDEDMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000600769097 369562599 /nfs/dbraw/zinc/56/25/99/369562599.db2.gz NUWAOHUMWUQWOJ-MNOVXSKESA-N 2 1 233.315 1.710 20 30 BDEDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000600769097 369562601 /nfs/dbraw/zinc/56/26/01/369562601.db2.gz NUWAOHUMWUQWOJ-MNOVXSKESA-N 2 1 233.315 1.710 20 30 BDEDMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1C#N ZINC000216177645 371709510 /nfs/dbraw/zinc/70/95/10/371709510.db2.gz GBJIPTGJYYBLHI-VXGBXAGGSA-N 2 1 229.327 1.727 20 30 BDEDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1C#N ZINC000216177645 371709514 /nfs/dbraw/zinc/70/95/14/371709514.db2.gz GBJIPTGJYYBLHI-VXGBXAGGSA-N 2 1 229.327 1.727 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459580240 206136462 /nfs/dbraw/zinc/13/64/62/206136462.db2.gz OPKUDTFVKLYFAH-KGLIPLIRSA-N 2 1 236.359 1.546 20 30 BDEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000336322513 384207355 /nfs/dbraw/zinc/20/73/55/384207355.db2.gz PGIZUPOSJGRVMY-HUUCEWRRSA-N 2 1 241.338 1.600 20 30 BDEDMP N#Cc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000336322513 384207359 /nfs/dbraw/zinc/20/73/59/384207359.db2.gz PGIZUPOSJGRVMY-HUUCEWRRSA-N 2 1 241.338 1.600 20 30 BDEDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000126872824 384195789 /nfs/dbraw/zinc/19/57/89/384195789.db2.gz VXDMVVACLATWQN-RISCZKNCSA-N 2 1 229.327 1.727 20 30 BDEDMP CC[N@H+](C)C[C@H]1CC[NH+](CCCC#N)C1 ZINC000173882738 384276211 /nfs/dbraw/zinc/27/62/11/384276211.db2.gz HUEGTICBRRPZKZ-GFCCVEGCSA-N 2 1 209.337 1.564 20 30 BDEDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCC#N)C1 ZINC000173882738 384276219 /nfs/dbraw/zinc/27/62/19/384276219.db2.gz HUEGTICBRRPZKZ-GFCCVEGCSA-N 2 1 209.337 1.564 20 30 BDEDMP CC[NH+](C)C[C@H]1CC[N@H+](CCCC#N)C1 ZINC000173882738 384276222 /nfs/dbraw/zinc/27/62/22/384276222.db2.gz HUEGTICBRRPZKZ-GFCCVEGCSA-N 2 1 209.337 1.564 20 30 BDEDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCC#N)C1 ZINC000173882738 384276229 /nfs/dbraw/zinc/27/62/29/384276229.db2.gz HUEGTICBRRPZKZ-GFCCVEGCSA-N 2 1 209.337 1.564 20 30 BDEDMP CN1CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000135481278 384448525 /nfs/dbraw/zinc/44/85/25/384448525.db2.gz BLUKPOQHTFBGLP-UHFFFAOYSA-N 2 1 219.288 1.335 20 30 BDEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCCC#N)C1 ZINC000173891114 384731975 /nfs/dbraw/zinc/73/19/75/384731975.db2.gz HITMBQXBGXZVIB-ZDUSSCGKSA-N 2 1 223.364 1.954 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCCC#N)C1 ZINC000173891114 384731984 /nfs/dbraw/zinc/73/19/84/384731984.db2.gz HITMBQXBGXZVIB-ZDUSSCGKSA-N 2 1 223.364 1.954 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCCC#N)C1 ZINC000173891114 384731987 /nfs/dbraw/zinc/73/19/87/384731987.db2.gz HITMBQXBGXZVIB-ZDUSSCGKSA-N 2 1 223.364 1.954 20 30 BDEDMP C[N@@H+]1CC=C(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000309973705 384756265 /nfs/dbraw/zinc/75/62/65/384756265.db2.gz REBCERXJECLDBG-OLZOCXBDSA-N 2 1 219.332 1.530 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](COC)CC(C)C ZINC000491070429 384806727 /nfs/dbraw/zinc/80/67/27/384806727.db2.gz BLBRALFRSSAQCG-AWEZNQCLSA-N 2 1 240.391 1.592 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](COC)CC(C)C ZINC000491070429 384806733 /nfs/dbraw/zinc/80/67/33/384806733.db2.gz BLBRALFRSSAQCG-AWEZNQCLSA-N 2 1 240.391 1.592 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](COC)CC(C)C ZINC000491070430 384807219 /nfs/dbraw/zinc/80/72/19/384807219.db2.gz BLBRALFRSSAQCG-CQSZACIVSA-N 2 1 240.391 1.592 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](COC)CC(C)C ZINC000491070430 384807225 /nfs/dbraw/zinc/80/72/25/384807225.db2.gz BLBRALFRSSAQCG-CQSZACIVSA-N 2 1 240.391 1.592 20 30 BDEDMP C=CCSCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180457592 385391151 /nfs/dbraw/zinc/39/11/51/385391151.db2.gz ZQIXQBWANZPUMD-NEPJUHHUSA-N 2 1 228.405 1.978 20 30 BDEDMP C=CCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182954663 385495326 /nfs/dbraw/zinc/49/53/26/385495326.db2.gz FSJMBPGKOHZKBH-UHFFFAOYSA-N 2 1 225.380 1.132 20 30 BDEDMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000309627915 385756801 /nfs/dbraw/zinc/75/68/01/385756801.db2.gz GWVKFAPFROYRAR-YPMHNXCESA-N 2 1 221.348 1.753 20 30 BDEDMP CC[N@@H+](CCN[C@@H]1CC[C@H](C#N)C1)C(C)C ZINC000336773875 386328613 /nfs/dbraw/zinc/32/86/13/386328613.db2.gz WGYXVRIYBGOWIQ-QWHCGFSZSA-N 2 1 223.364 1.999 20 30 BDEDMP CC[N@H+](CC[NH2+][C@@H]1CC[C@H](C#N)C1)C(C)C ZINC000336773875 386328616 /nfs/dbraw/zinc/32/86/16/386328616.db2.gz WGYXVRIYBGOWIQ-QWHCGFSZSA-N 2 1 223.364 1.999 20 30 BDEDMP CC[N@@H+](CC[NH2+][C@@H]1CC[C@H](C#N)C1)C(C)C ZINC000336773875 386328624 /nfs/dbraw/zinc/32/86/24/386328624.db2.gz WGYXVRIYBGOWIQ-QWHCGFSZSA-N 2 1 223.364 1.999 20 30 BDEDMP O=C(NCCN1CCC1)[C@H]1CCn2cncc2C1 ZINC000328965802 386666444 /nfs/dbraw/zinc/66/64/44/386666444.db2.gz SIAIEPPPLTWZDG-NSHDSACASA-N 2 1 248.330 1.108 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)[C@@H]1C[C@H]1C ZINC000321888701 387310196 /nfs/dbraw/zinc/31/01/96/387310196.db2.gz KXGDWXHJWJJYHQ-MGPQQGTHSA-N 2 1 222.376 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)[C@@H]1C[C@H]1C ZINC000321888701 387310198 /nfs/dbraw/zinc/31/01/98/387310198.db2.gz KXGDWXHJWJJYHQ-MGPQQGTHSA-N 2 1 222.376 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C1CCSCC1 ZINC000392840927 387293794 /nfs/dbraw/zinc/29/37/94/387293794.db2.gz ZLLWCEPJBPLLKF-UHFFFAOYSA-N 2 1 226.389 1.427 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCSCC1 ZINC000392840927 387293796 /nfs/dbraw/zinc/29/37/96/387293796.db2.gz ZLLWCEPJBPLLKF-UHFFFAOYSA-N 2 1 226.389 1.427 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000327982678 387604305 /nfs/dbraw/zinc/60/43/05/387604305.db2.gz JGPOZCUTZIRRBT-QWHCGFSZSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000327982678 387604308 /nfs/dbraw/zinc/60/43/08/387604308.db2.gz JGPOZCUTZIRRBT-QWHCGFSZSA-N 2 1 224.348 1.099 20 30 BDEDMP N#CCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157910161 387883224 /nfs/dbraw/zinc/88/32/24/387883224.db2.gz GNWNTJWYAVOPLN-NWDGAFQWSA-N 2 1 207.321 1.507 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000320983636 387883664 /nfs/dbraw/zinc/88/36/64/387883664.db2.gz ACVFWACVCCRMJE-YNEHKIRRSA-N 2 1 208.349 1.576 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000320983636 387883668 /nfs/dbraw/zinc/88/36/68/387883668.db2.gz ACVFWACVCCRMJE-YNEHKIRRSA-N 2 1 208.349 1.576 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423156128 387934460 /nfs/dbraw/zinc/93/44/60/387934460.db2.gz RTFQZXFQFBBZKM-YFKTTZPYSA-N 2 1 210.321 1.060 20 30 BDEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1 ZINC000423231549 388016643 /nfs/dbraw/zinc/01/66/43/388016643.db2.gz GUIOCJXQSYBZPB-WOPDTQHZSA-N 2 1 207.321 1.410 20 30 BDEDMP C#CC[N@H+](CC#CC)CCCn1cc[nH+]c1C ZINC000490892593 388258141 /nfs/dbraw/zinc/25/81/41/388258141.db2.gz MMMJNVHQHNAJJS-UHFFFAOYSA-N 2 1 229.327 1.540 20 30 BDEDMP C#CC[N@@H+](CC#CC)CCCn1cc[nH+]c1C ZINC000490892593 388258143 /nfs/dbraw/zinc/25/81/43/388258143.db2.gz MMMJNVHQHNAJJS-UHFFFAOYSA-N 2 1 229.327 1.540 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000449524364 388223913 /nfs/dbraw/zinc/22/39/13/388223913.db2.gz ZXKFOYZUKAMFGI-OLZOCXBDSA-N 2 1 224.348 1.404 20 30 BDEDMP C=C(C)COCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000108489136 388586220 /nfs/dbraw/zinc/58/62/20/388586220.db2.gz SBHZFQHGZNMYGU-BFHYXJOUSA-N 2 1 240.391 1.897 20 30 BDEDMP COc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])ccc1C#N ZINC000415004669 388666973 /nfs/dbraw/zinc/66/69/73/388666973.db2.gz AALPRNKNNXTWGV-UWVGGRQHSA-N 2 1 233.315 1.392 20 30 BDEDMP C[C@@H]([NH2+]CCc1cccc(C#N)c1)[C@@H]1CCC[NH2+]1 ZINC000423095760 388688522 /nfs/dbraw/zinc/68/85/22/388688522.db2.gz GALJMSBOGAOXJH-DOMZBBRYSA-N 2 1 243.354 1.831 20 30 BDEDMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccc(C#N)c1 ZINC000423287939 388690005 /nfs/dbraw/zinc/69/00/05/388690005.db2.gz PNJWDDLMNVDUKY-SNVBAGLBSA-N 2 1 217.316 1.946 20 30 BDEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)CC2 ZINC000423336697 388690761 /nfs/dbraw/zinc/69/07/61/388690761.db2.gz XZKKIIWBJUODFN-HUUCEWRRSA-N 2 1 241.338 1.872 20 30 BDEDMP C=CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000358230183 134187059 /nfs/dbraw/zinc/18/70/59/134187059.db2.gz GYZVJVBARXTXOX-UONOGXRCSA-N 2 1 238.375 1.387 20 30 BDEDMP C=CCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000358230183 134187060 /nfs/dbraw/zinc/18/70/60/134187060.db2.gz GYZVJVBARXTXOX-UONOGXRCSA-N 2 1 238.375 1.387 20 30 BDEDMP C=CC[N@H+](CCOC)CC1CC[NH2+]CC1 ZINC000234681730 134384914 /nfs/dbraw/zinc/38/49/14/134384914.db2.gz TUBUVZRRBJMLPR-UHFFFAOYSA-N 2 1 212.337 1.120 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337230850 135007745 /nfs/dbraw/zinc/00/77/45/135007745.db2.gz TXNNOWVRMBQGBA-AWEZNQCLSA-N 2 1 240.391 1.731 20 30 BDEDMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CC[C@H](C#N)C1 ZINC000339005588 135051505 /nfs/dbraw/zinc/05/15/05/135051505.db2.gz VDIGRHDFYFEGLH-IHRRRGAJSA-N 2 1 235.375 1.952 20 30 BDEDMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CC[C@H](C#N)C1 ZINC000339005588 135051507 /nfs/dbraw/zinc/05/15/07/135051507.db2.gz VDIGRHDFYFEGLH-IHRRRGAJSA-N 2 1 235.375 1.952 20 30 BDEDMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CC[C@H](C#N)C1 ZINC000339005588 135051509 /nfs/dbraw/zinc/05/15/09/135051509.db2.gz VDIGRHDFYFEGLH-IHRRRGAJSA-N 2 1 235.375 1.952 20 30 BDEDMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CC[C@H](C#N)C1 ZINC000339005588 135051512 /nfs/dbraw/zinc/05/15/12/135051512.db2.gz VDIGRHDFYFEGLH-IHRRRGAJSA-N 2 1 235.375 1.952 20 30 BDEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])NC)c1 ZINC000264124940 135134519 /nfs/dbraw/zinc/13/45/19/135134519.db2.gz VZSDWIZFBREDFQ-UHFFFAOYSA-N 2 1 234.347 1.172 20 30 BDEDMP C=C(C)CNC(=[NH2+])NCCCn1cc[nH+]c1C ZINC000264134193 135134866 /nfs/dbraw/zinc/13/48/66/135134866.db2.gz ZCKLWLQRUJWCPY-UHFFFAOYSA-N 2 1 235.335 1.062 20 30 BDEDMP CCC[N@H+]1CC[C@@H](C[NH+]=C(N(C)C)N(C)C)C1 ZINC000262002044 135271340 /nfs/dbraw/zinc/27/13/40/135271340.db2.gz PYQFGKWHCKTNHD-LBPRGKRZSA-N 2 1 240.395 1.198 20 30 BDEDMP C[C@@H](CCCC#N)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172499926 974852086 /nfs/dbraw/zinc/85/20/86/974852086.db2.gz GVKWKLXWRRQPQY-RWMBFGLXSA-N 2 1 221.348 1.562 20 30 BDEDMP C[C@@H](CCCC#N)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001172499926 974852092 /nfs/dbraw/zinc/85/20/92/974852092.db2.gz GVKWKLXWRRQPQY-RWMBFGLXSA-N 2 1 221.348 1.562 20 30 BDEDMP C[C@@H](CCCC#N)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001172499926 974852100 /nfs/dbraw/zinc/85/21/00/974852100.db2.gz GVKWKLXWRRQPQY-RWMBFGLXSA-N 2 1 221.348 1.562 20 30 BDEDMP C#CC[NH+](CCCC[N@H+](CC#C)C1CC1)C1CC1 ZINC000274226307 166169914 /nfs/dbraw/zinc/16/99/14/166169914.db2.gz VWBWGFRKYMHVOT-UHFFFAOYSA-N 2 1 244.382 1.962 20 30 BDEDMP C=CC[N@H+](CCOC)CC[C@@H]1CCCC[NH+]1C ZINC000362050796 166342653 /nfs/dbraw/zinc/34/26/53/166342653.db2.gz TYLQVJNZLVGIRQ-AWEZNQCLSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CC[N@@H+](CCOC)CC[C@@H]1CCCC[NH+]1C ZINC000362050796 166342656 /nfs/dbraw/zinc/34/26/56/166342656.db2.gz TYLQVJNZLVGIRQ-AWEZNQCLSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CC[NH+](CCOC)CC[C@@H]1CCCC[N@@H+]1C ZINC000362050796 166342660 /nfs/dbraw/zinc/34/26/60/166342660.db2.gz TYLQVJNZLVGIRQ-AWEZNQCLSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CC[NH+](CCOC)CC[C@@H]1CCCC[N@H+]1C ZINC000362050796 166342661 /nfs/dbraw/zinc/34/26/61/166342661.db2.gz TYLQVJNZLVGIRQ-AWEZNQCLSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652360129 411217683 /nfs/dbraw/zinc/21/76/83/411217683.db2.gz BDEXBCOJNDCVHY-YNEHKIRRSA-N 2 1 224.348 1.533 20 30 BDEDMP C=CC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652360126 411218158 /nfs/dbraw/zinc/21/81/58/411218158.db2.gz BDEXBCOJNDCVHY-JHJVBQTASA-N 2 1 224.348 1.533 20 30 BDEDMP C=C(C)CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655772979 411255941 /nfs/dbraw/zinc/25/59/41/411255941.db2.gz PBLQNIWKLWLIQU-AWEZNQCLSA-N 2 1 238.375 1.796 20 30 BDEDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000037643897 170015748 /nfs/dbraw/zinc/01/57/48/170015748.db2.gz MYZCOVOGOMSUDL-OAHLLOKOSA-N 2 1 243.354 1.990 20 30 BDEDMP C=CCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662147850 412009071 /nfs/dbraw/zinc/00/90/71/412009071.db2.gz HDWGWQCHZVTUDU-CYBMUJFWSA-N 2 1 224.348 1.094 20 30 BDEDMP C=C[C@H](CO)[NH2+]CCCCn1cc[nH+]c1C ZINC000662168773 412018151 /nfs/dbraw/zinc/01/81/51/412018151.db2.gz UEIHUDMTRGOSOW-GFCCVEGCSA-N 2 1 223.320 1.108 20 30 BDEDMP C=CCOCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000665262922 412206249 /nfs/dbraw/zinc/20/62/49/412206249.db2.gz CBQMEQGQGATORV-NEPJUHHUSA-N 2 1 212.337 1.167 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@]1(C)C[NH3+] ZINC000335538880 176304077 /nfs/dbraw/zinc/30/40/77/176304077.db2.gz OJICDNAXISGTTQ-IUODEOHRSA-N 2 1 243.354 1.975 20 30 BDEDMP C=CCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652361681 487932932 /nfs/dbraw/zinc/93/29/32/487932932.db2.gz MIFSHPYJNVSQIQ-MGPQQGTHSA-N 2 1 238.375 1.923 20 30 BDEDMP CC#CCC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000248387703 323018269 /nfs/dbraw/zinc/01/82/69/323018269.db2.gz BUNWLJVRMNMZBO-QWHCGFSZSA-N 2 1 208.349 1.814 20 30 BDEDMP CC#CCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248387703 323018270 /nfs/dbraw/zinc/01/82/70/323018270.db2.gz BUNWLJVRMNMZBO-QWHCGFSZSA-N 2 1 208.349 1.814 20 30 BDEDMP CC#CCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248387703 323018271 /nfs/dbraw/zinc/01/82/71/323018271.db2.gz BUNWLJVRMNMZBO-QWHCGFSZSA-N 2 1 208.349 1.814 20 30 BDEDMP CC#CCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248387703 323018272 /nfs/dbraw/zinc/01/82/72/323018272.db2.gz BUNWLJVRMNMZBO-QWHCGFSZSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H](C)CC ZINC000328234438 324273113 /nfs/dbraw/zinc/27/31/13/324273113.db2.gz FFIVSWJDQDWLNM-QWHCGFSZSA-N 2 1 210.365 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H](C)CC ZINC000328234438 324273118 /nfs/dbraw/zinc/27/31/18/324273118.db2.gz FFIVSWJDQDWLNM-QWHCGFSZSA-N 2 1 210.365 1.966 20 30 BDEDMP C#CC[N@H+](C)CCCNC1CC[NH+](CC)CC1 ZINC000328262211 324340099 /nfs/dbraw/zinc/34/00/99/324340099.db2.gz LPYRNIZKAYRVJW-UHFFFAOYSA-N 2 1 237.391 1.015 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000567890859 326277514 /nfs/dbraw/zinc/27/75/14/326277514.db2.gz CZOTZHOMQDBDQE-MJVIPROJSA-N 2 1 247.342 1.736 20 30 BDEDMP C=C(C)[C@H](CO)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000677480972 488050234 /nfs/dbraw/zinc/05/02/34/488050234.db2.gz YUAJJMDGWKBIFB-KGLIPLIRSA-N 2 1 240.391 1.730 20 30 BDEDMP C=C(C)[C@H](CO)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000677480972 488050235 /nfs/dbraw/zinc/05/02/35/488050235.db2.gz YUAJJMDGWKBIFB-KGLIPLIRSA-N 2 1 240.391 1.730 20 30 BDEDMP C=C(C)[C@H](CO)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000677480972 488050238 /nfs/dbraw/zinc/05/02/38/488050238.db2.gz YUAJJMDGWKBIFB-KGLIPLIRSA-N 2 1 240.391 1.730 20 30 BDEDMP C=C(C)[C@H](CO)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000677480972 488050241 /nfs/dbraw/zinc/05/02/41/488050241.db2.gz YUAJJMDGWKBIFB-KGLIPLIRSA-N 2 1 240.391 1.730 20 30 BDEDMP COCC#CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000677820218 487518427 /nfs/dbraw/zinc/51/84/27/487518427.db2.gz JJAZMCJPQIJYCJ-UONOGXRCSA-N 2 1 236.359 1.052 20 30 BDEDMP COCC#CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000677820218 487518432 /nfs/dbraw/zinc/51/84/32/487518432.db2.gz JJAZMCJPQIJYCJ-UONOGXRCSA-N 2 1 236.359 1.052 20 30 BDEDMP COCC#CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000677820218 487518438 /nfs/dbraw/zinc/51/84/38/487518438.db2.gz JJAZMCJPQIJYCJ-UONOGXRCSA-N 2 1 236.359 1.052 20 30 BDEDMP COCC#CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000677820218 487518441 /nfs/dbraw/zinc/51/84/41/487518441.db2.gz JJAZMCJPQIJYCJ-UONOGXRCSA-N 2 1 236.359 1.052 20 30 BDEDMP COCC#CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000677820218 487518446 /nfs/dbraw/zinc/51/84/46/487518446.db2.gz JJAZMCJPQIJYCJ-UONOGXRCSA-N 2 1 236.359 1.052 20 30 BDEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000678220247 488215894 /nfs/dbraw/zinc/21/58/94/488215894.db2.gz UDIQLUVGXURQSP-KGLIPLIRSA-N 2 1 238.375 1.341 20 30 BDEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000678220247 488215897 /nfs/dbraw/zinc/21/58/97/488215897.db2.gz UDIQLUVGXURQSP-KGLIPLIRSA-N 2 1 238.375 1.341 20 30 BDEDMP C=CC[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000125652474 490439835 /nfs/dbraw/zinc/43/98/35/490439835.db2.gz VUDDVJBHSHMRMJ-UHFFFAOYSA-N 2 1 216.328 1.950 20 30 BDEDMP C=CCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000367848785 534720837 /nfs/dbraw/zinc/72/08/37/534720837.db2.gz LAVGAOPDMPVLRS-ZDUSSCGKSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367848785 534720839 /nfs/dbraw/zinc/72/08/39/534720839.db2.gz LAVGAOPDMPVLRS-ZDUSSCGKSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CCCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367848785 534720844 /nfs/dbraw/zinc/72/08/44/534720844.db2.gz LAVGAOPDMPVLRS-ZDUSSCGKSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CCOCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000339020852 534879099 /nfs/dbraw/zinc/87/90/99/534879099.db2.gz IZSHNERLDOBNOO-ZIAGYGMSSA-N 2 1 238.375 1.605 20 30 BDEDMP C=CCOCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000339020852 534879100 /nfs/dbraw/zinc/87/91/00/534879100.db2.gz IZSHNERLDOBNOO-ZIAGYGMSSA-N 2 1 238.375 1.605 20 30 BDEDMP C=CCOCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000339020852 534879101 /nfs/dbraw/zinc/87/91/01/534879101.db2.gz IZSHNERLDOBNOO-ZIAGYGMSSA-N 2 1 238.375 1.605 20 30 BDEDMP C=CCOCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000339011637 534879108 /nfs/dbraw/zinc/87/91/08/534879108.db2.gz BZAQORRKQBCYMH-ZDUSSCGKSA-N 2 1 226.364 1.463 20 30 BDEDMP C=CCOCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000339011637 534879109 /nfs/dbraw/zinc/87/91/09/534879109.db2.gz BZAQORRKQBCYMH-ZDUSSCGKSA-N 2 1 226.364 1.463 20 30 BDEDMP C=CCOCC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000339011637 534879112 /nfs/dbraw/zinc/87/91/12/534879112.db2.gz BZAQORRKQBCYMH-ZDUSSCGKSA-N 2 1 226.364 1.463 20 30 BDEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N[C@H]1C[C@@H]1C ZINC000262836898 535263638 /nfs/dbraw/zinc/26/36/38/535263638.db2.gz SRTXUQOCZCAIDR-JQWIXIFHSA-N 2 1 249.362 1.155 20 30 BDEDMP C#CCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000852104360 583003240 /nfs/dbraw/zinc/00/32/40/583003240.db2.gz ABCPKYJTXLZOFX-CYBMUJFWSA-N 2 1 206.333 1.427 20 30 BDEDMP C#CCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000852104360 583003241 /nfs/dbraw/zinc/00/32/41/583003241.db2.gz ABCPKYJTXLZOFX-CYBMUJFWSA-N 2 1 206.333 1.427 20 30 BDEDMP CCCCCCNC(=[NH2+])NCC[N@@H+](C)C(C)C ZINC000104191680 583162807 /nfs/dbraw/zinc/16/28/07/583162807.db2.gz AJVDDWLJTAHXBR-UHFFFAOYSA-N 2 1 242.411 1.811 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](OC)[C@@H](C)CC ZINC000894863473 583536336 /nfs/dbraw/zinc/53/63/36/583536336.db2.gz FBGCIQIFQXEMPX-KBPBESRZSA-N 2 1 240.391 1.592 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](OC)[C@@H](C)CC ZINC000894863473 583536337 /nfs/dbraw/zinc/53/63/37/583536337.db2.gz FBGCIQIFQXEMPX-KBPBESRZSA-N 2 1 240.391 1.592 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H]1SC ZINC000894863840 583536446 /nfs/dbraw/zinc/53/64/46/583536446.db2.gz WJHGYTKQJJJCMY-NWDGAFQWSA-N 2 1 226.389 1.425 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@H]1SC ZINC000894863840 583536448 /nfs/dbraw/zinc/53/64/48/583536448.db2.gz WJHGYTKQJJJCMY-NWDGAFQWSA-N 2 1 226.389 1.425 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903861968 584813297 /nfs/dbraw/zinc/81/32/97/584813297.db2.gz ZQWWSPVDHDQVPF-RWMBFGLXSA-N 2 1 224.348 1.127 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903861968 584813299 /nfs/dbraw/zinc/81/32/99/584813299.db2.gz ZQWWSPVDHDQVPF-RWMBFGLXSA-N 2 1 224.348 1.127 20 30 BDEDMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000817979946 584994709 /nfs/dbraw/zinc/99/47/09/584994709.db2.gz QLVRARBVEOZSKX-DGCLKSJQSA-N 2 1 247.342 1.977 20 30 BDEDMP C=C(Cl)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000817903633 586835783 /nfs/dbraw/zinc/83/57/83/586835783.db2.gz HCZPVGGRUUPFCH-SCZZXKLOSA-N 2 1 202.729 1.717 20 30 BDEDMP C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000817966742 586855577 /nfs/dbraw/zinc/85/55/77/586855577.db2.gz UYKUHQXHIQIPOR-VXGBXAGGSA-N 2 1 232.327 1.696 20 30 BDEDMP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)[C@H](C)[NH3+] ZINC000817977903 586862078 /nfs/dbraw/zinc/86/20/78/586862078.db2.gz RHSKCAZTQXRFJG-TUAOUCFPSA-N 2 1 247.342 1.975 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)C2CC2)CC1 ZINC000819023833 586925063 /nfs/dbraw/zinc/92/50/63/586925063.db2.gz KBAIKHLDVOOVAG-CQSZACIVSA-N 2 1 238.375 1.387 20 30 BDEDMP CC(C)C[N@@H+](C)CCC[NH+]=C(N(C)C)N(C)C ZINC000849047451 588450832 /nfs/dbraw/zinc/45/08/32/588450832.db2.gz WUEKZWUVIMFLPN-UHFFFAOYSA-N 2 1 242.411 1.444 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C1(OC)CCC1 ZINC000850470589 588548908 /nfs/dbraw/zinc/54/89/08/588548908.db2.gz FFFAEYIVFOEVPT-CYBMUJFWSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C1(OC)CCC1 ZINC000850470589 588548910 /nfs/dbraw/zinc/54/89/10/588548910.db2.gz FFFAEYIVFOEVPT-CYBMUJFWSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC(C)(C)N(C)C[C@H](O)C[N@H+](C)C(C)C ZINC000851986271 588651969 /nfs/dbraw/zinc/65/19/69/588651969.db2.gz GXCJKKHGHWFKCQ-GFCCVEGCSA-N 2 1 226.364 1.031 20 30 BDEDMP C=CCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879574285 590813539 /nfs/dbraw/zinc/81/35/39/590813539.db2.gz YZSWWTDFMJZRDL-OLZOCXBDSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879574285 590813541 /nfs/dbraw/zinc/81/35/41/590813541.db2.gz YZSWWTDFMJZRDL-OLZOCXBDSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879574285 590813542 /nfs/dbraw/zinc/81/35/42/590813542.db2.gz YZSWWTDFMJZRDL-OLZOCXBDSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879574287 590815524 /nfs/dbraw/zinc/81/55/24/590815524.db2.gz YZSWWTDFMJZRDL-STQMWFEESA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879574287 590815527 /nfs/dbraw/zinc/81/55/27/590815527.db2.gz YZSWWTDFMJZRDL-STQMWFEESA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879574287 590815528 /nfs/dbraw/zinc/81/55/28/590815528.db2.gz YZSWWTDFMJZRDL-STQMWFEESA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000883393097 591645173 /nfs/dbraw/zinc/64/51/73/591645173.db2.gz VWCCGRWGZMETEB-CHWSQXEVSA-N 2 1 240.391 1.776 20 30 BDEDMP C[NH+](CC#CC[N@@H+](C)CCCF)CCCF ZINC000887141208 592456609 /nfs/dbraw/zinc/45/66/09/592456609.db2.gz JXDWFIRKIYMGDD-UHFFFAOYSA-N 2 1 232.318 1.573 20 30 BDEDMP C#C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000300880149 592523754 /nfs/dbraw/zinc/52/37/54/592523754.db2.gz ISUXXKKUPSZYGK-AGIUHOORSA-N 2 1 208.349 1.717 20 30 BDEDMP C#C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000300880149 592523756 /nfs/dbraw/zinc/52/37/56/592523756.db2.gz ISUXXKKUPSZYGK-AGIUHOORSA-N 2 1 208.349 1.717 20 30 BDEDMP CCNC(NC[C@H]1CCC[N@H+]1CC)=[NH+]CC ZINC000066244973 632860085 /nfs/dbraw/zinc/86/00/85/632860085.db2.gz WGBZLBBUHSJXBK-LLVKDONJSA-N 2 1 226.368 1.046 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000328060549 633228871 /nfs/dbraw/zinc/22/88/71/633228871.db2.gz BGIRHOREPIBDRF-KGLIPLIRSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000328060549 633228875 /nfs/dbraw/zinc/22/88/75/633228875.db2.gz BGIRHOREPIBDRF-KGLIPLIRSA-N 2 1 238.375 1.489 20 30 BDEDMP C=C(C)C[C@@H](CO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925769118 635190421 /nfs/dbraw/zinc/19/04/21/635190421.db2.gz ATXNJBQBVQJJLQ-NWDGAFQWSA-N 2 1 224.348 1.188 20 30 BDEDMP C[N@@H+](CC1CC[NH+](C)CC1)CC(C)(C)C#N ZINC000258883600 635216776 /nfs/dbraw/zinc/21/67/76/635216776.db2.gz ILEWHMNVWQWRMT-UHFFFAOYSA-N 2 1 223.364 1.810 20 30 BDEDMP C[C@H]([NH2+]Cc1cc(C#N)ccc1F)[C@H]1CC[NH2+]C1 ZINC000925811249 635366292 /nfs/dbraw/zinc/36/62/92/635366292.db2.gz COPBTURMWNXMDR-JQWIXIFHSA-N 2 1 247.317 1.785 20 30 BDEDMP CCN(CC)C(=[NH2+])NCC[N@H+]1CCC[C@@H](C)C1 ZINC000303895364 636315452 /nfs/dbraw/zinc/31/54/52/636315452.db2.gz PJROQXURQIOYTK-GFCCVEGCSA-N 2 1 240.395 1.375 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931438074 640203566 /nfs/dbraw/zinc/20/35/66/640203566.db2.gz ZAFXUFCFAZKKKY-RDBSUJKOSA-N 2 1 238.375 1.197 20 30 BDEDMP C=CCC[C@H](O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931438074 640203562 /nfs/dbraw/zinc/20/35/62/640203562.db2.gz ZAFXUFCFAZKKKY-RDBSUJKOSA-N 2 1 238.375 1.197 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931438074 640203570 /nfs/dbraw/zinc/20/35/70/640203570.db2.gz ZAFXUFCFAZKKKY-RDBSUJKOSA-N 2 1 238.375 1.197 20 30 BDEDMP C=CC[C@H]1CC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000934465063 641162222 /nfs/dbraw/zinc/16/22/22/641162222.db2.gz SRSSAMZKPMDKCQ-STQMWFEESA-N 2 1 226.364 1.338 20 30 BDEDMP C=CC[C@H]1CC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000934465063 641162223 /nfs/dbraw/zinc/16/22/23/641162223.db2.gz SRSSAMZKPMDKCQ-STQMWFEESA-N 2 1 226.364 1.338 20 30 BDEDMP C=CC[C@H]1CC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000934465063 641162224 /nfs/dbraw/zinc/16/22/24/641162224.db2.gz SRSSAMZKPMDKCQ-STQMWFEESA-N 2 1 226.364 1.338 20 30 BDEDMP C=CC[C@H]1CC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000934465063 641162225 /nfs/dbraw/zinc/16/22/25/641162225.db2.gz SRSSAMZKPMDKCQ-STQMWFEESA-N 2 1 226.364 1.338 20 30 BDEDMP C#CCSCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181098117 642837698 /nfs/dbraw/zinc/83/76/98/642837698.db2.gz UZKLIQCQLBKXIM-VXGBXAGGSA-N 2 1 226.389 1.425 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000923281017 644315441 /nfs/dbraw/zinc/31/54/41/644315441.db2.gz NJALNGHNTUEICO-NWDGAFQWSA-N 2 1 212.337 1.127 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000923281017 644315448 /nfs/dbraw/zinc/31/54/48/644315448.db2.gz NJALNGHNTUEICO-NWDGAFQWSA-N 2 1 212.337 1.127 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000923352832 644369942 /nfs/dbraw/zinc/36/99/42/644369942.db2.gz FUWJXMXTIIIZDY-STQMWFEESA-N 2 1 226.364 1.517 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923400022 644406952 /nfs/dbraw/zinc/40/69/52/644406952.db2.gz VYRHVUHRKHNVTP-RWMBFGLXSA-N 2 1 224.348 1.127 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000923400022 644406966 /nfs/dbraw/zinc/40/69/66/644406966.db2.gz VYRHVUHRKHNVTP-RWMBFGLXSA-N 2 1 224.348 1.127 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923494477 644470628 /nfs/dbraw/zinc/47/06/28/644470628.db2.gz XWDBSRJORVDEJR-UPJWGTAASA-N 2 1 226.364 1.230 20 30 BDEDMP CCNC(NC[C@H]1CC[N@H+](C2CC2)C1)=[NH+]CC ZINC000303251428 644812044 /nfs/dbraw/zinc/81/20/44/644812044.db2.gz ALWCOLDYPWHCBM-LLVKDONJSA-N 2 1 238.379 1.046 20 30 BDEDMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])NC2CC2)C1 ZINC000303267809 644815542 /nfs/dbraw/zinc/81/55/42/644815542.db2.gz XUBWBVAZTCEUOQ-LLVKDONJSA-N 2 1 238.379 1.174 20 30 BDEDMP C[NH+]=C(NCC[N@H+]1CCCC[C@H]1C)NC1CC1 ZINC000303408357 644821771 /nfs/dbraw/zinc/82/17/71/644821771.db2.gz UCIVJJANUURYBQ-LLVKDONJSA-N 2 1 238.379 1.188 20 30 BDEDMP C[C@H](C#N)OCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000801924479 644844640 /nfs/dbraw/zinc/84/46/40/644844640.db2.gz PQJXWKAQIIDWGJ-UPJWGTAASA-N 2 1 239.363 1.330 20 30 BDEDMP C[C@H](C#N)OCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000801924479 644844646 /nfs/dbraw/zinc/84/46/46/644844646.db2.gz PQJXWKAQIIDWGJ-UPJWGTAASA-N 2 1 239.363 1.330 20 30 BDEDMP C[C@H](C#N)OCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000801924479 644844652 /nfs/dbraw/zinc/84/46/52/644844652.db2.gz PQJXWKAQIIDWGJ-UPJWGTAASA-N 2 1 239.363 1.330 20 30 BDEDMP C[C@H](C#N)OCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000801924479 644844655 /nfs/dbraw/zinc/84/46/55/644844655.db2.gz PQJXWKAQIIDWGJ-UPJWGTAASA-N 2 1 239.363 1.330 20 30 BDEDMP CCCNC(=[NH2+])NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000303898526 644856156 /nfs/dbraw/zinc/85/61/56/644856156.db2.gz RADFIXILBCQHSO-RYUDHWBXSA-N 2 1 240.395 1.421 20 30 BDEDMP CC[N@@H+](CCNC(=[NH2+])NC(C)C)C(C)C ZINC000303979729 644862946 /nfs/dbraw/zinc/86/29/46/644862946.db2.gz NLKFSXPTJFWFMO-UHFFFAOYSA-N 2 1 214.357 1.029 20 30 BDEDMP CCNC(NC[C@@H]1CCCC[N@H+]1CC)=[NH+]CC ZINC000304062513 644868143 /nfs/dbraw/zinc/86/81/43/644868143.db2.gz QRAGQZWBOPAUAR-LBPRGKRZSA-N 2 1 240.395 1.436 20 30 BDEDMP CCN(CC)C(=[NH2+])NC[C@@H]1CCCC[N@H+]1CC ZINC000304753019 644928953 /nfs/dbraw/zinc/92/89/53/644928953.db2.gz KSHVGIWINCEBIK-LBPRGKRZSA-N 2 1 240.395 1.517 20 30 BDEDMP C=C(C)CNC(=[NH2+])NCC[N@H+](C)C1CCCC1 ZINC000304759179 644930427 /nfs/dbraw/zinc/93/04/27/644930427.db2.gz QWQDEGWQYASHJH-UHFFFAOYSA-N 2 1 238.379 1.341 20 30 BDEDMP CC[N@H+]1CC[C@H](N(C)C[C@H](O)CC#N)C[C@H]1C ZINC000929779739 646309605 /nfs/dbraw/zinc/30/96/05/646309605.db2.gz IISMKSXGLPIBMF-FRRDWIJNSA-N 2 1 239.363 1.066 20 30 BDEDMP C=CCC[C@@H](CO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925694489 646419419 /nfs/dbraw/zinc/41/94/19/646419419.db2.gz TWHRTBWMVYERDF-RYUDHWBXSA-N 2 1 224.348 1.188 20 30 BDEDMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000925714614 646439447 /nfs/dbraw/zinc/43/94/47/646439447.db2.gz SNHOYPAVERXKIP-SWLSCSKDSA-N 2 1 243.354 1.831 20 30 BDEDMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000925714613 646439689 /nfs/dbraw/zinc/43/96/89/646439689.db2.gz SNHOYPAVERXKIP-IUODEOHRSA-N 2 1 243.354 1.831 20 30 BDEDMP C=C(C)C[C@H](CO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000925772798 646473874 /nfs/dbraw/zinc/47/38/74/646473874.db2.gz UQNRHBFOCQTDAC-UTUOFQBUSA-N 2 1 212.337 1.044 20 30 BDEDMP C[C@@H]1C(N=NC(N)=[NH2+])CC[N@H+]1Cc1ccccc1 ZINC000381048067 710600323 /nfs/dbraw/zinc/60/03/23/710600323.db2.gz GFAGVGQTHKEBJV-SNVBAGLBSA-N 2 1 245.330 1.120 20 30 BDEDMP C[C@@H](CC[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC000700427736 711993928 /nfs/dbraw/zinc/99/39/28/711993928.db2.gz NZKCMSVTQBLBHV-LBPRGKRZSA-N 2 1 231.343 1.988 20 30 BDEDMP C=CC[C@@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000715051871 712505369 /nfs/dbraw/zinc/50/53/69/712505369.db2.gz FHOGEZBMCIMYBC-UPJWGTAASA-N 2 1 208.349 1.882 20 30 BDEDMP C=CC[N@H+](C[C@H](O)C[NH+](CC)CC)C(C)(C)C ZINC001253191539 969104961 /nfs/dbraw/zinc/10/49/61/969104961.db2.gz BPARLIBRNUTOSB-CYBMUJFWSA-N 2 1 242.407 1.976 20 30 BDEDMP C=CCCC[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001209165625 969366155 /nfs/dbraw/zinc/36/61/55/969366155.db2.gz SWBBAOXXSZSNDQ-BETUJISGSA-N 2 1 208.349 1.836 20 30 BDEDMP C=CCCC[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001209165625 969366159 /nfs/dbraw/zinc/36/61/59/969366159.db2.gz SWBBAOXXSZSNDQ-BETUJISGSA-N 2 1 208.349 1.836 20 30 BDEDMP C=CCCC[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001209165625 969366166 /nfs/dbraw/zinc/36/61/66/969366166.db2.gz SWBBAOXXSZSNDQ-BETUJISGSA-N 2 1 208.349 1.836 20 30 BDEDMP N#CC1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246120589 972183048 /nfs/dbraw/zinc/18/30/48/972183048.db2.gz MWGMNINHFZATOB-MCIGGMRASA-N 2 1 207.321 1.410 20 30 BDEDMP C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C[NH3+] ZINC000708852708 959923245 /nfs/dbraw/zinc/92/32/45/959923245.db2.gz AVGUBTBHKNWIMB-GXFFZTMASA-N 2 1 247.317 1.724 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C[NH3+] ZINC000708852708 959923254 /nfs/dbraw/zinc/92/32/54/959923254.db2.gz AVGUBTBHKNWIMB-GXFFZTMASA-N 2 1 247.317 1.724 20 30 BDEDMP C=CCCCC[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492400 972520978 /nfs/dbraw/zinc/52/09/78/972520978.db2.gz WSEKSCGATGRHSW-KBPBESRZSA-N 2 1 237.391 1.369 20 30 BDEDMP Cc1[nH+]c(NC[C@H]2C[NH2+][C@H](C)C2)ccc1CC#N ZINC001155102391 962979898 /nfs/dbraw/zinc/97/98/98/962979898.db2.gz UPVWBPOLLGCJQM-ZYHUDNBSSA-N 2 1 244.342 1.866 20 30 BDEDMP Cc1ccc(CC#N)c(NC/C=C/C[NH3+])[nH+]1 ZINC001160982138 964467523 /nfs/dbraw/zinc/46/75/23/964467523.db2.gz GEHSKNCUSJWVOL-NSCUHMNNSA-N 2 1 216.288 1.383 20 30 BDEDMP CC(C)[N@H+](C#C[Si](C)(C)C)CCC[NH3+] ZINC001164122657 965746703 /nfs/dbraw/zinc/74/67/03/965746703.db2.gz MGCSQSFFMNYRDO-UHFFFAOYSA-N 2 1 212.413 1.884 20 30 BDEDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1CCc1ccc(C#N)cc1 ZINC001205064286 967320320 /nfs/dbraw/zinc/32/03/20/967320320.db2.gz MFEXVBHOLMLVKE-WFASDCNBSA-N 2 1 243.354 1.912 20 30 BDEDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCc1ccc(C#N)cc1 ZINC001205064286 967320330 /nfs/dbraw/zinc/32/03/30/967320330.db2.gz MFEXVBHOLMLVKE-WFASDCNBSA-N 2 1 243.354 1.912 20 30 BDEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205094154 967342774 /nfs/dbraw/zinc/34/27/74/967342774.db2.gz JETKDHXEGYMPGQ-HNNXBMFYSA-N 2 1 243.354 1.914 20 30 BDEDMP C#Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205110772 967357047 /nfs/dbraw/zinc/35/70/47/967357047.db2.gz ZWKLQXKOSPPCHT-HNNXBMFYSA-N 2 1 228.339 1.981 20 30 BDEDMP C#CC1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208612040 969172215 /nfs/dbraw/zinc/17/22/15/969172215.db2.gz ABMGBFKYWNWLSR-AWEZNQCLSA-N 2 1 220.360 1.673 20 30 BDEDMP C=C[C@@H](O)C[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001253598669 969291004 /nfs/dbraw/zinc/29/10/04/969291004.db2.gz WERNCHZQDQKPLQ-HUUCEWRRSA-N 2 1 248.370 1.816 20 30 BDEDMP C=C[C@@H](O)C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC001253600877 969294135 /nfs/dbraw/zinc/29/41/35/969294135.db2.gz GYDAJYJROKDKLH-QWHCGFSZSA-N 2 1 226.364 1.387 20 30 BDEDMP C=CCCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001209205281 969394128 /nfs/dbraw/zinc/39/41/28/969394128.db2.gz TZJGMICIXJEEPX-BETUJISGSA-N 2 1 208.349 1.836 20 30 BDEDMP C=CCCCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001209205281 969394134 /nfs/dbraw/zinc/39/41/34/969394134.db2.gz TZJGMICIXJEEPX-BETUJISGSA-N 2 1 208.349 1.836 20 30 BDEDMP C#C[C@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209731606 969591284 /nfs/dbraw/zinc/59/12/84/969591284.db2.gz ULJXEIJDFGOEPC-NSHDSACASA-N 2 1 215.300 1.339 20 30 BDEDMP C#C[C@H]1CCC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209731606 969591288 /nfs/dbraw/zinc/59/12/88/969591288.db2.gz ULJXEIJDFGOEPC-NSHDSACASA-N 2 1 215.300 1.339 20 30 BDEDMP C=CCO[C@@H]1CC[N@H+](CCCn2ccnc2C)C1 ZINC001254557589 969737119 /nfs/dbraw/zinc/73/71/19/969737119.db2.gz SAWAOGKVYQHLLX-CQSZACIVSA-N 2 1 249.358 1.859 20 30 BDEDMP C=CCO[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC001254557589 969737130 /nfs/dbraw/zinc/73/71/30/969737130.db2.gz SAWAOGKVYQHLLX-CQSZACIVSA-N 2 1 249.358 1.859 20 30 BDEDMP C=CCO[C@@H]1CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC001254557589 969737139 /nfs/dbraw/zinc/73/71/39/969737139.db2.gz SAWAOGKVYQHLLX-CQSZACIVSA-N 2 1 249.358 1.859 20 30 BDEDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC001254673731 969782057 /nfs/dbraw/zinc/78/20/57/969782057.db2.gz NWBARHVXAJJCSI-RFQIPJPRSA-N 2 1 233.359 1.562 20 30 BDEDMP C[N@H+]1CCC[C@H](NC(=[NH2+])c2ccc(F)cn2)C1 ZINC001255470863 970199119 /nfs/dbraw/zinc/19/91/19/970199119.db2.gz UDSOSSUXAHJXNM-JTQLQIEISA-N 2 1 236.294 1.020 20 30 BDEDMP N#Cc1cncc(C[NH+]2CCC(F)(C[NH3+])CC2)c1 ZINC001222542999 972560841 /nfs/dbraw/zinc/56/08/41/972560841.db2.gz OOSLAPGYKMVVDN-UHFFFAOYSA-N 2 1 248.305 1.216 20 30 BDEDMP C#CC[N@H+](CCn1cc[nH+]c1C)CC1CC1 ZINC001327537365 972618715 /nfs/dbraw/zinc/61/87/15/972618715.db2.gz DNQZLTOYLBHKLH-UHFFFAOYSA-N 2 1 217.316 1.537 20 30 BDEDMP C#CC[N@@H+](CCn1cc[nH+]c1C)CC1CC1 ZINC001327537365 972618701 /nfs/dbraw/zinc/61/87/01/972618701.db2.gz DNQZLTOYLBHKLH-UHFFFAOYSA-N 2 1 217.316 1.537 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)C1 ZINC001246863915 973189317 /nfs/dbraw/zinc/18/93/17/973189317.db2.gz SSUUKAWBIHWSSR-WISYIIOYSA-N 2 1 205.305 1.102 20 30 BDEDMP Cc1[nH+]c(NC/C=C/C[NH3+])ccc1CC#N ZINC001160982639 973239734 /nfs/dbraw/zinc/23/97/34/973239734.db2.gz PAOZIFZRZUEUFD-NSCUHMNNSA-N 2 1 216.288 1.383 20 30 BDEDMP CC[N@H+]1CCC[C@H](C[NH+]=C(N(C)C)N(C)C)C1 ZINC001329225188 973582641 /nfs/dbraw/zinc/58/26/41/973582641.db2.gz GCSNWSCQQKTNNQ-GFCCVEGCSA-N 2 1 240.395 1.198 20 30 BDEDMP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1C#N ZINC000235000902 973796915 /nfs/dbraw/zinc/79/69/15/973796915.db2.gz GESPZJPJETYLHH-GFCCVEGCSA-N 2 1 245.326 1.347 20 30 BDEDMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1C#N ZINC000235000902 973796926 /nfs/dbraw/zinc/79/69/26/973796926.db2.gz GESPZJPJETYLHH-GFCCVEGCSA-N 2 1 245.326 1.347 20 30 BDEDMP C=CCC[NH2+]CCNC(=O)CC[N@H+](C)CCC ZINC001148578891 973866338 /nfs/dbraw/zinc/86/63/38/973866338.db2.gz XGJPRHGWZGXGFO-UHFFFAOYSA-N 2 1 241.379 1.000 20 30 BDEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC(CC#N)C1)C2 ZINC001172113628 974385648 /nfs/dbraw/zinc/38/56/48/974385648.db2.gz LDMOZHYYPDIQCP-BTTYYORXSA-N 2 1 233.359 1.847 20 30 BDEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC(CC#N)C1)C2 ZINC001172113628 974385652 /nfs/dbraw/zinc/38/56/52/974385652.db2.gz LDMOZHYYPDIQCP-BTTYYORXSA-N 2 1 233.359 1.847 20 30 BDEDMP C#CC[N@@H+](CCc1c[nH+]cn1C)CC1CC1 ZINC001330866761 974509496 /nfs/dbraw/zinc/50/94/96/974509496.db2.gz DWSRYOXIFWRDBO-UHFFFAOYSA-N 2 1 217.316 1.308 20 30 BDEDMP C#CC[N@H+](CCc1c[nH+]cn1C)CC1CC1 ZINC001330866761 974509503 /nfs/dbraw/zinc/50/95/03/974509503.db2.gz DWSRYOXIFWRDBO-UHFFFAOYSA-N 2 1 217.316 1.308 20 30 BDEDMP C=CC[N@@H+](C)C1CC[NH+](CCCOC)CC1 ZINC001172256419 974513953 /nfs/dbraw/zinc/51/39/53/974513953.db2.gz VVSBFEDCQNDETC-UHFFFAOYSA-N 2 1 226.364 1.605 20 30 BDEDMP C=CC[N@H+](C)C1CC[NH+](CCCOC)CC1 ZINC001172256419 974513957 /nfs/dbraw/zinc/51/39/57/974513957.db2.gz VVSBFEDCQNDETC-UHFFFAOYSA-N 2 1 226.364 1.605 20 30 BDEDMP C[C@H](CCCC#N)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172499928 974851730 /nfs/dbraw/zinc/85/17/30/974851730.db2.gz GVKWKLXWRRQPQY-UPJWGTAASA-N 2 1 221.348 1.562 20 30 BDEDMP C[C@H](CCCC#N)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001172499928 974851735 /nfs/dbraw/zinc/85/17/35/974851735.db2.gz GVKWKLXWRRQPQY-UPJWGTAASA-N 2 1 221.348 1.562 20 30 BDEDMP C[C@H](CCCC#N)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001172499928 974851740 /nfs/dbraw/zinc/85/17/40/974851740.db2.gz GVKWKLXWRRQPQY-UPJWGTAASA-N 2 1 221.348 1.562 20 30 BDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206458397 979258989 /nfs/dbraw/zinc/25/89/89/979258989.db2.gz YYSNKXMIKCHCBX-NWDGAFQWSA-N 2 1 214.353 1.208 20 30 BDEDMP C[C@@H](C#N)OCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000685997266 985034280 /nfs/dbraw/zinc/03/42/80/985034280.db2.gz CGTVRNQKAHAJRE-STQMWFEESA-N 2 1 239.363 1.189 20 30 BDEDMP C[C@@H](C#N)OCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000685997266 985034301 /nfs/dbraw/zinc/03/43/01/985034301.db2.gz CGTVRNQKAHAJRE-STQMWFEESA-N 2 1 239.363 1.189 20 30 BDEDMP C[C@@H](C#N)OCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000685997266 985034318 /nfs/dbraw/zinc/03/43/18/985034318.db2.gz CGTVRNQKAHAJRE-STQMWFEESA-N 2 1 239.363 1.189 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246018324 987299648 /nfs/dbraw/zinc/29/96/48/987299648.db2.gz AVXRTLOKOOMUSP-KBPBESRZSA-N 2 1 240.391 1.764 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246032851 987334900 /nfs/dbraw/zinc/33/49/00/987334900.db2.gz UKDAXYFVAWKICB-MCIONIFRSA-N 2 1 240.391 1.620 20 30 BDEDMP C=CC[N@@H+]1CCC[C@H]1CN[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246358029 987767108 /nfs/dbraw/zinc/76/71/08/987767108.db2.gz BXZZWBCFNXTRNZ-IHRRRGAJSA-N 2 1 237.391 1.367 20 30 BDEDMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)cs2)CC[NH2+]1 ZINC001246502630 987856754 /nfs/dbraw/zinc/85/67/54/987856754.db2.gz ILMLCEVSEIGOGB-KOLCDFICSA-N 2 1 235.356 1.850 20 30 BDEDMP C[C@@H](CCCC#N)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246540372 987905955 /nfs/dbraw/zinc/90/59/55/987905955.db2.gz DNLPUGCYCHMQNG-QWHCGFSZSA-N 2 1 239.363 1.244 20 30 BDEDMP C#CCOCC[N@@H+](C)CCC[NH+](CC)CC ZINC001321905721 988042756 /nfs/dbraw/zinc/04/27/56/988042756.db2.gz JCLPABPGZUAXIH-UHFFFAOYSA-N 2 1 226.364 1.300 20 30 BDEDMP C#CCOCC[N@H+](C)CCC[NH+](CC)CC ZINC001321905721 988042778 /nfs/dbraw/zinc/04/27/78/988042778.db2.gz JCLPABPGZUAXIH-UHFFFAOYSA-N 2 1 226.364 1.300 20 30 BDEDMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C#N)CC2)CC[NH2+]1 ZINC001246830444 988522547 /nfs/dbraw/zinc/52/25/47/988522547.db2.gz HHTSILZTTMJTMW-AGIUHOORSA-N 2 1 221.348 1.753 20 30 BDEDMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC(C#N)CC3)[C@@H]2C1 ZINC001561052652 991707588 /nfs/dbraw/zinc/70/75/88/991707588.db2.gz HLXRLVNBGSIEDB-FWJBWGTRSA-N 2 1 247.386 1.999 20 30 BDEDMP C#CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C(C)(C)C ZINC001574666851 992889267 /nfs/dbraw/zinc/88/92/67/992889267.db2.gz IMBKSNDWVCJSBH-LBPRGKRZSA-N 2 1 236.359 1.241 20 30 BDEDMP CC(C)([NH3+])c1cc(C[NH2+]CCCC#N)on1 ZINC001575365564 993022555 /nfs/dbraw/zinc/02/25/55/993022555.db2.gz LXATUCTWCTVKTM-UHFFFAOYSA-N 2 1 222.292 1.262 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]2C)CC1 ZINC000309148222 136217750 /nfs/dbraw/zinc/21/77/50/136217750.db2.gz VTEPFWNFMIFFBA-RYUDHWBXSA-N 2 1 208.349 1.882 20 30 BDEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CC[N@@H+]1C ZINC000336731337 136218150 /nfs/dbraw/zinc/21/81/50/136218150.db2.gz FFGWMNFMJTXGCY-FVCCEPFGSA-N 2 1 221.348 1.751 20 30 BDEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CC[N@H+]1C ZINC000336731337 136218151 /nfs/dbraw/zinc/21/81/51/136218151.db2.gz FFGWMNFMJTXGCY-FVCCEPFGSA-N 2 1 221.348 1.751 20 30 BDEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CC[N@@H+]1C ZINC000336731336 136218272 /nfs/dbraw/zinc/21/82/72/136218272.db2.gz FFGWMNFMJTXGCY-FDYHWXHSSA-N 2 1 221.348 1.751 20 30 BDEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CC[N@H+]1C ZINC000336731336 136218273 /nfs/dbraw/zinc/21/82/73/136218273.db2.gz FFGWMNFMJTXGCY-FDYHWXHSSA-N 2 1 221.348 1.751 20 30 BDEDMP C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C1=CC[N@@H+](C)CC1 ZINC000576510962 365613498 /nfs/dbraw/zinc/61/34/98/365613498.db2.gz BNUWJDIUEOGCTE-CHWSQXEVSA-N 2 1 246.358 1.670 20 30 BDEDMP C[C@@H](CCC#N)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000602477221 349564110 /nfs/dbraw/zinc/56/41/10/349564110.db2.gz ZHSJRWUQKUNDQW-QWHCGFSZSA-N 2 1 223.364 1.810 20 30 BDEDMP C=C(C)COCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246324351 323008611 /nfs/dbraw/zinc/00/86/11/323008611.db2.gz FPEYFCWGWXUOCT-KBPBESRZSA-N 2 1 238.375 1.796 20 30 BDEDMP C=CCOCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000389378009 539016050 /nfs/dbraw/zinc/01/60/50/539016050.db2.gz BNUXVGNSHDXXER-NEPJUHHUSA-N 2 1 212.337 1.261 20 30 BDEDMP C[C@H](CCC#N)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602878514 349789928 /nfs/dbraw/zinc/78/99/28/349789928.db2.gz XUFLOKKXBRFLMI-OLZOCXBDSA-N 2 1 239.363 1.067 20 30 BDEDMP C[C@@H](CCC#N)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602878516 349790039 /nfs/dbraw/zinc/79/00/39/349790039.db2.gz XUFLOKKXBRFLMI-STQMWFEESA-N 2 1 239.363 1.067 20 30 BDEDMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000127137944 343361013 /nfs/dbraw/zinc/36/10/13/343361013.db2.gz JRDILNPETJYMEW-DGCLKSJQSA-N 2 1 229.327 1.727 20 30 BDEDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000127137944 343361014 /nfs/dbraw/zinc/36/10/14/343361014.db2.gz JRDILNPETJYMEW-DGCLKSJQSA-N 2 1 229.327 1.727 20 30 BDEDMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602981857 349832490 /nfs/dbraw/zinc/83/24/90/349832490.db2.gz KNJGGQLCSIDRNP-GXTWGEPZSA-N 2 1 246.358 1.977 20 30 BDEDMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602981857 349832494 /nfs/dbraw/zinc/83/24/94/349832494.db2.gz KNJGGQLCSIDRNP-GXTWGEPZSA-N 2 1 246.358 1.977 20 30 BDEDMP C[NH2+]CCC[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000234369439 343954020 /nfs/dbraw/zinc/95/40/20/343954020.db2.gz DPWMUJJJVQVGSI-UHFFFAOYSA-N 2 1 247.342 1.608 20 30 BDEDMP C[NH2+]CCC[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000234369439 343954021 /nfs/dbraw/zinc/95/40/21/343954021.db2.gz DPWMUJJJVQVGSI-UHFFFAOYSA-N 2 1 247.342 1.608 20 30 BDEDMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309611592 344414031 /nfs/dbraw/zinc/41/40/31/344414031.db2.gz BMIIXOIJBOYMMD-AVGNSLFASA-N 2 1 223.364 1.999 20 30 BDEDMP CNC(=[NH2+])NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000111994535 344610850 /nfs/dbraw/zinc/61/08/50/344610850.db2.gz XDKOTFUQMAFNOE-LLVKDONJSA-N 2 1 234.347 1.041 20 30 BDEDMP CNC(=[NH2+])NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000111994535 344610853 /nfs/dbraw/zinc/61/08/53/344610853.db2.gz XDKOTFUQMAFNOE-LLVKDONJSA-N 2 1 234.347 1.041 20 30 BDEDMP Cc1cc(C#N)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000166165731 344755041 /nfs/dbraw/zinc/75/50/41/344755041.db2.gz SWKNKWIXOKLBCA-GASCZTMLSA-N 2 1 241.338 1.518 20 30 BDEDMP Cc1cc(C#N)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000166165731 344755044 /nfs/dbraw/zinc/75/50/44/344755044.db2.gz SWKNKWIXOKLBCA-GASCZTMLSA-N 2 1 241.338 1.518 20 30 BDEDMP CC#CCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000155760936 345103365 /nfs/dbraw/zinc/10/33/65/345103365.db2.gz HOFCYBFQWUJQSI-CQSZACIVSA-N 2 1 220.360 1.818 20 30 BDEDMP CNC(=[NH2+])NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000081795452 345492438 /nfs/dbraw/zinc/49/24/38/345492438.db2.gz REUJBSNRXGLGRK-GFCCVEGCSA-N 2 1 248.374 1.431 20 30 BDEDMP CC#CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371292068 345585239 /nfs/dbraw/zinc/58/52/39/345585239.db2.gz AVLJJVAEDFPYFB-BFHYXJOUSA-N 2 1 236.359 1.193 20 30 BDEDMP CC#CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371292068 345585243 /nfs/dbraw/zinc/58/52/43/345585243.db2.gz AVLJJVAEDFPYFB-BFHYXJOUSA-N 2 1 236.359 1.193 20 30 BDEDMP C#CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375758979 346561741 /nfs/dbraw/zinc/56/17/41/346561741.db2.gz BRYLOYJJDVKBLI-FUNVUKJBSA-N 2 1 206.333 1.567 20 30 BDEDMP C#CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375758979 346561743 /nfs/dbraw/zinc/56/17/43/346561743.db2.gz BRYLOYJJDVKBLI-FUNVUKJBSA-N 2 1 206.333 1.567 20 30 BDEDMP C#CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375758979 346561745 /nfs/dbraw/zinc/56/17/45/346561745.db2.gz BRYLOYJJDVKBLI-FUNVUKJBSA-N 2 1 206.333 1.567 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309818093 347175076 /nfs/dbraw/zinc/17/50/76/347175076.db2.gz VSMRCPBWBJDGQT-AGIUHOORSA-N 2 1 226.364 1.243 20 30 BDEDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595896809 348387034 /nfs/dbraw/zinc/38/70/34/348387034.db2.gz YAIKWCUACZNNNY-DOMZBBRYSA-N 2 1 243.354 1.912 20 30 BDEDMP C[C@@]1(C[NH3+])CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595895588 348391614 /nfs/dbraw/zinc/39/16/14/348391614.db2.gz PSBZISMEVHIOKF-HNNXBMFYSA-N 2 1 243.354 1.771 20 30 BDEDMP C[N@@H+](CCOCC[NH3+])CCc1ccc(C#N)cc1 ZINC000595906100 348397104 /nfs/dbraw/zinc/39/71/04/348397104.db2.gz XAYBDTGKIODGMZ-UHFFFAOYSA-N 2 1 247.342 1.008 20 30 BDEDMP Cc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1C#N ZINC000599269625 349136699 /nfs/dbraw/zinc/13/66/99/349136699.db2.gz UZXXEZGWQNVIHQ-GJZGRUSLSA-N 2 1 241.338 1.518 20 30 BDEDMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000309117471 323318876 /nfs/dbraw/zinc/31/88/76/323318876.db2.gz ROYKUPUGAHTDHD-NXEZZACHSA-N 2 1 203.289 1.384 20 30 BDEDMP C#CC[N@H+](CC)CCCn1cc[nH+]c1C ZINC000270624809 188261435 /nfs/dbraw/zinc/26/14/35/188261435.db2.gz KQPGCMHJYYZZGU-UHFFFAOYSA-N 2 1 205.305 1.537 20 30 BDEDMP C#CC[N@@H+](CC)CCCn1cc[nH+]c1C ZINC000270624809 188261436 /nfs/dbraw/zinc/26/14/36/188261436.db2.gz KQPGCMHJYYZZGU-UHFFFAOYSA-N 2 1 205.305 1.537 20 30 BDEDMP C[NH+](C)C[C@H]1CC[N@@H+](CCCCC#N)C1 ZINC000113515299 355251817 /nfs/dbraw/zinc/25/18/17/355251817.db2.gz XRJQVSRNVHRACF-GFCCVEGCSA-N 2 1 209.337 1.564 20 30 BDEDMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000335840750 355585043 /nfs/dbraw/zinc/58/50/43/355585043.db2.gz YDHGMCJSDAQFOM-UONOGXRCSA-N 2 1 233.359 1.920 20 30 BDEDMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)CCC#N)C1 ZINC000351410852 355986884 /nfs/dbraw/zinc/98/68/84/355986884.db2.gz KCXUPQXHUHSKLA-OLZOCXBDSA-N 2 1 223.364 1.952 20 30 BDEDMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)CCC#N)C1 ZINC000351410852 355986887 /nfs/dbraw/zinc/98/68/87/355986887.db2.gz KCXUPQXHUHSKLA-OLZOCXBDSA-N 2 1 223.364 1.952 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000351410852 355986888 /nfs/dbraw/zinc/98/68/88/355986888.db2.gz KCXUPQXHUHSKLA-OLZOCXBDSA-N 2 1 223.364 1.952 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)CCC#N)C1 ZINC000351410852 355986891 /nfs/dbraw/zinc/98/68/91/355986891.db2.gz KCXUPQXHUHSKLA-OLZOCXBDSA-N 2 1 223.364 1.952 20 30 BDEDMP C=CCCC[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420379284 192233313 /nfs/dbraw/zinc/23/33/13/192233313.db2.gz MZGSORGCTATLSK-CYBMUJFWSA-N 2 1 249.362 1.340 20 30 BDEDMP C=CCC[C@@H](CCC)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358252010 134187346 /nfs/dbraw/zinc/18/73/46/134187346.db2.gz NHVLBEGSSDSUKK-KGLIPLIRSA-N 2 1 240.391 1.778 20 30 BDEDMP C=CCC[C@@H](CCC)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358252010 134187347 /nfs/dbraw/zinc/18/73/47/134187347.db2.gz NHVLBEGSSDSUKK-KGLIPLIRSA-N 2 1 240.391 1.778 20 30 BDEDMP C=CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559774 361455077 /nfs/dbraw/zinc/45/50/77/361455077.db2.gz BVXXDKJMRWDDAG-RKDXNWHRSA-N 2 1 222.254 1.632 20 30 BDEDMP C=CC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559774 361455083 /nfs/dbraw/zinc/45/50/83/361455083.db2.gz BVXXDKJMRWDDAG-RKDXNWHRSA-N 2 1 222.254 1.632 20 30 BDEDMP C=CCC[C@@H](CC)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154346714 201275037 /nfs/dbraw/zinc/27/50/37/201275037.db2.gz IIXCPFQTEGCBKC-VXGBXAGGSA-N 2 1 214.353 1.243 20 30 BDEDMP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1C#N ZINC000618594639 369180631 /nfs/dbraw/zinc/18/06/31/369180631.db2.gz SCOJFTFENWRHFF-GASCZTMLSA-N 2 1 241.338 1.518 20 30 BDEDMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1C#N ZINC000618594639 369180637 /nfs/dbraw/zinc/18/06/37/369180637.db2.gz SCOJFTFENWRHFF-GASCZTMLSA-N 2 1 241.338 1.518 20 30 BDEDMP N#Cc1cccc2c1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000405041741 369443411 /nfs/dbraw/zinc/44/34/11/369443411.db2.gz CJOUBVRVHKHELJ-UHFFFAOYSA-N 2 1 241.338 1.873 20 30 BDEDMP N#Cc1cccc2c1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000405041741 369443416 /nfs/dbraw/zinc/44/34/16/369443416.db2.gz CJOUBVRVHKHELJ-UHFFFAOYSA-N 2 1 241.338 1.873 20 30 BDEDMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000600768460 369562324 /nfs/dbraw/zinc/56/23/24/369562324.db2.gz GYIQEBPGFIMUSA-UWVGGRQHSA-N 2 1 219.288 1.320 20 30 BDEDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000600768460 369562327 /nfs/dbraw/zinc/56/23/27/369562327.db2.gz GYIQEBPGFIMUSA-UWVGGRQHSA-N 2 1 219.288 1.320 20 30 BDEDMP C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C[NH3+] ZINC000601326052 369621799 /nfs/dbraw/zinc/62/17/99/369621799.db2.gz ISOSRPDSLUMTEZ-BXUZGUMPSA-N 2 1 229.327 1.585 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C[NH3+] ZINC000601326052 369621802 /nfs/dbraw/zinc/62/18/02/369621802.db2.gz ISOSRPDSLUMTEZ-BXUZGUMPSA-N 2 1 229.327 1.585 20 30 BDEDMP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000251753284 369941304 /nfs/dbraw/zinc/94/13/04/369941304.db2.gz LKONZAXDIDVDQX-SMDDNHRTSA-N 2 1 229.327 1.727 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000251753284 369941310 /nfs/dbraw/zinc/94/13/10/369941310.db2.gz LKONZAXDIDVDQX-SMDDNHRTSA-N 2 1 229.327 1.727 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000424381001 206038937 /nfs/dbraw/zinc/03/89/37/206038937.db2.gz QKOCZOFAKVXCNI-VOAKCMCISA-N 2 1 224.348 1.165 20 30 BDEDMP CC[N@H+](C)C[C@@H]1CC[NH+](CCCC#N)C1 ZINC000173882722 384276308 /nfs/dbraw/zinc/27/63/08/384276308.db2.gz HUEGTICBRRPZKZ-LBPRGKRZSA-N 2 1 209.337 1.564 20 30 BDEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCC#N)C1 ZINC000173882722 384276318 /nfs/dbraw/zinc/27/63/18/384276318.db2.gz HUEGTICBRRPZKZ-LBPRGKRZSA-N 2 1 209.337 1.564 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCC#N)C1 ZINC000173882722 384276322 /nfs/dbraw/zinc/27/63/22/384276322.db2.gz HUEGTICBRRPZKZ-LBPRGKRZSA-N 2 1 209.337 1.564 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCC#N)C1 ZINC000173882722 384276329 /nfs/dbraw/zinc/27/63/29/384276329.db2.gz HUEGTICBRRPZKZ-LBPRGKRZSA-N 2 1 209.337 1.564 20 30 BDEDMP CC#CC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000174773610 384362484 /nfs/dbraw/zinc/36/24/84/384362484.db2.gz MBZFUNSLEBLHRZ-CHWSQXEVSA-N 2 1 208.349 1.672 20 30 BDEDMP CC#CC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000174773610 384362486 /nfs/dbraw/zinc/36/24/86/384362486.db2.gz MBZFUNSLEBLHRZ-CHWSQXEVSA-N 2 1 208.349 1.672 20 30 BDEDMP CC#CC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000174773610 384362489 /nfs/dbraw/zinc/36/24/89/384362489.db2.gz MBZFUNSLEBLHRZ-CHWSQXEVSA-N 2 1 208.349 1.672 20 30 BDEDMP CC#CC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000174773610 384362495 /nfs/dbraw/zinc/36/24/95/384362495.db2.gz MBZFUNSLEBLHRZ-CHWSQXEVSA-N 2 1 208.349 1.672 20 30 BDEDMP C[C@H]([NH2+][C@H](CN)C1CC1)c1cccc(C#N)c1 ZINC000423272463 384527882 /nfs/dbraw/zinc/52/78/82/384527882.db2.gz IDHLKRFPQXGMRY-IINYFYTJSA-N 2 1 229.327 1.946 20 30 BDEDMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(C#N)c1 ZINC000423272463 384527889 /nfs/dbraw/zinc/52/78/89/384527889.db2.gz IDHLKRFPQXGMRY-IINYFYTJSA-N 2 1 229.327 1.946 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CO[C@H](C)C2)CC1 ZINC000647181016 384553308 /nfs/dbraw/zinc/55/33/08/384553308.db2.gz FKMNFVUQSPTZPF-TZMCWYRMSA-N 2 1 238.375 1.794 20 30 BDEDMP C#CCN1CCC[C@@H]([N@@H+](C)CC#C)CC1 ZINC000156964927 385033534 /nfs/dbraw/zinc/03/35/34/385033534.db2.gz HABVCXQNSXGHCF-CYBMUJFWSA-N 2 1 204.317 1.039 20 30 BDEDMP C#CCN(C)[C@@H]1CCC[N@H+](CC#C)CC1 ZINC000156964927 385033543 /nfs/dbraw/zinc/03/35/43/385033543.db2.gz HABVCXQNSXGHCF-CYBMUJFWSA-N 2 1 204.317 1.039 20 30 BDEDMP C=CCSCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000180457612 385390723 /nfs/dbraw/zinc/39/07/23/385390723.db2.gz ZQIXQBWANZPUMD-RYUDHWBXSA-N 2 1 228.405 1.978 20 30 BDEDMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000345172649 386309409 /nfs/dbraw/zinc/30/94/09/386309409.db2.gz KSXQVQMVNIMILU-UHFFFAOYSA-N 2 1 247.367 1.971 20 30 BDEDMP C=CCC[C@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000320552657 386616175 /nfs/dbraw/zinc/61/61/75/386616175.db2.gz SJZFIBMCFNXZTP-CYBMUJFWSA-N 2 1 226.364 1.387 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](OC)C2CC2)CC1 ZINC000638523768 386856122 /nfs/dbraw/zinc/85/61/22/386856122.db2.gz GWKWJMNENYBUIX-AWEZNQCLSA-N 2 1 238.375 1.651 20 30 BDEDMP C=CCC[C@@H](CCC)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423486226 387332444 /nfs/dbraw/zinc/33/24/44/387332444.db2.gz BGDJKKMQAKJGEG-ZIAGYGMSSA-N 2 1 239.407 1.615 20 30 BDEDMP N#CCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000157910327 387883549 /nfs/dbraw/zinc/88/35/49/387883549.db2.gz GNWNTJWYAVOPLN-RYUDHWBXSA-N 2 1 207.321 1.507 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000451681102 388289549 /nfs/dbraw/zinc/28/95/49/388289549.db2.gz LHODRTNBVOWEGJ-MCIONIFRSA-N 2 1 238.375 1.794 20 30 BDEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CCC#N ZINC000519141900 256643889 /nfs/dbraw/zinc/64/38/89/256643889.db2.gz SMPWQSRTONKENP-SNVBAGLBSA-N 2 1 206.293 1.331 20 30 BDEDMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000271898033 388411088 /nfs/dbraw/zinc/41/10/88/388411088.db2.gz PVMZUXCPDUYNLQ-UHFFFAOYSA-N 2 1 241.338 1.910 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C(C)(C)C ZINC000393414987 388429695 /nfs/dbraw/zinc/42/96/95/388429695.db2.gz DVACNSVFRVNFGZ-LBPRGKRZSA-N 2 1 210.365 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C(C)(C)C ZINC000393414987 388429696 /nfs/dbraw/zinc/42/96/96/388429696.db2.gz DVACNSVFRVNFGZ-LBPRGKRZSA-N 2 1 210.365 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C1CCCCC1 ZINC000328178293 388582076 /nfs/dbraw/zinc/58/20/76/388582076.db2.gz MKXBIPCRHHWWHJ-UHFFFAOYSA-N 2 1 208.349 1.864 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCCCC1 ZINC000328178293 388582079 /nfs/dbraw/zinc/58/20/79/388582079.db2.gz MKXBIPCRHHWWHJ-UHFFFAOYSA-N 2 1 208.349 1.864 20 30 BDEDMP C=CCC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000564989508 388905665 /nfs/dbraw/zinc/90/56/65/388905665.db2.gz OYBJEOIBJPJDFL-GFCCVEGCSA-N 2 1 224.348 1.250 20 30 BDEDMP C=CCC[C@H](CCC)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358252009 134187310 /nfs/dbraw/zinc/18/73/10/134187310.db2.gz NHVLBEGSSDSUKK-KBPBESRZSA-N 2 1 240.391 1.778 20 30 BDEDMP C=CCC[C@H](CCC)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358252009 134187311 /nfs/dbraw/zinc/18/73/11/134187311.db2.gz NHVLBEGSSDSUKK-KBPBESRZSA-N 2 1 240.391 1.778 20 30 BDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000371185438 134227531 /nfs/dbraw/zinc/22/75/31/134227531.db2.gz SCDGCHSWDJHZQB-UKRRQHHQSA-N 2 1 232.371 1.958 20 30 BDEDMP C#CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000371185438 134227532 /nfs/dbraw/zinc/22/75/32/134227532.db2.gz SCDGCHSWDJHZQB-UKRRQHHQSA-N 2 1 232.371 1.958 20 30 BDEDMP C#CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000371185438 134227533 /nfs/dbraw/zinc/22/75/33/134227533.db2.gz SCDGCHSWDJHZQB-UKRRQHHQSA-N 2 1 232.371 1.958 20 30 BDEDMP C=CC[N@@H+](CCOC)C[C@@]1(C)CC[NH2+]C1 ZINC000234685887 134385254 /nfs/dbraw/zinc/38/52/54/134385254.db2.gz MWLZQGDBZPISCK-LBPRGKRZSA-N 2 1 212.337 1.120 20 30 BDEDMP C=CC[N@H+](CCOC)C[C@@]1(C)CC[NH2+]C1 ZINC000234685887 134385255 /nfs/dbraw/zinc/38/52/55/134385255.db2.gz MWLZQGDBZPISCK-LBPRGKRZSA-N 2 1 212.337 1.120 20 30 BDEDMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000338021361 135028221 /nfs/dbraw/zinc/02/82/21/135028221.db2.gz TUNDAVWGKFZWJV-QWHCGFSZSA-N 2 1 232.331 1.864 20 30 BDEDMP CC(C)[N@@H+](C)CCCNC(=[NH2+])Nc1ccccn1 ZINC000264135359 135134839 /nfs/dbraw/zinc/13/48/39/135134839.db2.gz ZKRGIGUQPCIUMG-UHFFFAOYSA-N 2 1 249.362 1.539 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261555683 135194867 /nfs/dbraw/zinc/19/48/67/135194867.db2.gz BQNHCWDGNGSEDB-GJZGRUSLSA-N 2 1 241.338 1.600 20 30 BDEDMP N#Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261555683 135194869 /nfs/dbraw/zinc/19/48/69/135194869.db2.gz BQNHCWDGNGSEDB-GJZGRUSLSA-N 2 1 241.338 1.600 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261555682 135195368 /nfs/dbraw/zinc/19/53/68/135195368.db2.gz BQNHCWDGNGSEDB-CABCVRRESA-N 2 1 241.338 1.600 20 30 BDEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261555682 135195370 /nfs/dbraw/zinc/19/53/70/135195370.db2.gz BQNHCWDGNGSEDB-CABCVRRESA-N 2 1 241.338 1.600 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261584011 135224904 /nfs/dbraw/zinc/22/49/04/135224904.db2.gz RZUGLPBUXBNJDG-HUUCEWRRSA-N 2 1 241.338 1.742 20 30 BDEDMP N#Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261584011 135224905 /nfs/dbraw/zinc/22/49/05/135224905.db2.gz RZUGLPBUXBNJDG-HUUCEWRRSA-N 2 1 241.338 1.742 20 30 BDEDMP C=C(C)CNC(=[NH2+])NCC[N@@H+]1CCC[C@H](C)C1 ZINC000262021077 135272926 /nfs/dbraw/zinc/27/29/26/135272926.db2.gz XUASOPJISWIKQC-LBPRGKRZSA-N 2 1 238.379 1.199 20 30 BDEDMP C=C(C)CNC(=[NH2+])NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000262021074 135272938 /nfs/dbraw/zinc/27/29/38/135272938.db2.gz XUASOPJISWIKQC-GFCCVEGCSA-N 2 1 238.379 1.199 20 30 BDEDMP [NH2+]=C(NC[C@H]1CCCC[N@H+]1C1CC1)NC1CC1 ZINC000262708394 135314844 /nfs/dbraw/zinc/31/48/44/135314844.db2.gz BZIFIWLZRVXEOW-GFCCVEGCSA-N 2 1 236.363 1.070 20 30 BDEDMP COc1cccc(NC(=[NH2+])NCC[NH+]2CCC2)c1 ZINC000262807154 135319075 /nfs/dbraw/zinc/31/90/75/135319075.db2.gz SZLMWKLZZRCDHD-UHFFFAOYSA-N 2 1 248.330 1.128 20 30 BDEDMP CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000265227361 135362500 /nfs/dbraw/zinc/36/25/00/135362500.db2.gz XTXYSJJZLVPCLG-ZDUSSCGKSA-N 2 1 246.358 1.185 20 30 BDEDMP N#Cc1cccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000334447694 398092195 /nfs/dbraw/zinc/09/21/95/398092195.db2.gz MZYVQLYBUCABPX-HNNXBMFYSA-N 2 1 241.338 1.744 20 30 BDEDMP N#Cc1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000334447694 398092196 /nfs/dbraw/zinc/09/21/96/398092196.db2.gz MZYVQLYBUCABPX-HNNXBMFYSA-N 2 1 241.338 1.744 20 30 BDEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000651953043 409573780 /nfs/dbraw/zinc/57/37/80/409573780.db2.gz OHHPSIYLKUCPOD-FRRDWIJNSA-N 2 1 226.364 1.243 20 30 BDEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000651762847 411142231 /nfs/dbraw/zinc/14/22/31/411142231.db2.gz SMIOJQXLPHMJFP-RDBSUJKOSA-N 2 1 238.375 1.387 20 30 BDEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000651762847 411142232 /nfs/dbraw/zinc/14/22/32/411142232.db2.gz SMIOJQXLPHMJFP-RDBSUJKOSA-N 2 1 238.375 1.387 20 30 BDEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347928 411208992 /nfs/dbraw/zinc/20/89/92/411208992.db2.gz PISYYQFUZWHGRA-IHRRRGAJSA-N 2 1 238.375 1.781 20 30 BDEDMP C=CCOCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000658210105 411294651 /nfs/dbraw/zinc/29/46/51/411294651.db2.gz OCZLOMIAJQYUBI-STQMWFEESA-N 2 1 226.364 1.651 20 30 BDEDMP C=CCOCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661199 411375430 /nfs/dbraw/zinc/37/54/30/411375430.db2.gz BVKJDOZTCGSXNL-CQSZACIVSA-N 2 1 238.375 1.607 20 30 BDEDMP C=CCOCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661199 411375438 /nfs/dbraw/zinc/37/54/38/411375438.db2.gz BVKJDOZTCGSXNL-CQSZACIVSA-N 2 1 238.375 1.607 20 30 BDEDMP C=CCOCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661199 411375441 /nfs/dbraw/zinc/37/54/41/411375441.db2.gz BVKJDOZTCGSXNL-CQSZACIVSA-N 2 1 238.375 1.607 20 30 BDEDMP C=C(C)[C@H](CO)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660658692 411613991 /nfs/dbraw/zinc/61/39/91/411613991.db2.gz GGPIZDNZZYHVGG-KBPBESRZSA-N 2 1 238.375 1.341 20 30 BDEDMP C=C(C)[C@H](CO)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660658692 411613993 /nfs/dbraw/zinc/61/39/93/411613993.db2.gz GGPIZDNZZYHVGG-KBPBESRZSA-N 2 1 238.375 1.341 20 30 BDEDMP C=C(C)[C@H](CO)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660658692 411613994 /nfs/dbraw/zinc/61/39/94/411613994.db2.gz GGPIZDNZZYHVGG-KBPBESRZSA-N 2 1 238.375 1.341 20 30 BDEDMP C=CC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H](C)COC ZINC000662298942 412086623 /nfs/dbraw/zinc/08/66/23/412086623.db2.gz HQMVJZKMAZTFPD-OLZOCXBDSA-N 2 1 226.364 1.509 20 30 BDEDMP C=CC[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000662299447 412087018 /nfs/dbraw/zinc/08/70/18/412087018.db2.gz PWZNFOYHNULABH-LBPRGKRZSA-N 2 1 212.337 1.250 20 30 BDEDMP C=CC[C@H]1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000662299912 412087444 /nfs/dbraw/zinc/08/74/44/412087444.db2.gz ZKVUIXSCRAMSER-STQMWFEESA-N 2 1 226.364 1.245 20 30 BDEDMP C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000163438364 177162995 /nfs/dbraw/zinc/16/29/95/177162995.db2.gz JWQDYIBLNSPCOA-WFASDCNBSA-N 2 1 243.354 1.975 20 30 BDEDMP C=C(Cl)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000839604140 585331614 /nfs/dbraw/zinc/33/16/14/585331614.db2.gz KVABBNUGCAVSFE-UHFFFAOYSA-N 2 1 247.814 1.554 20 30 BDEDMP C=C(Cl)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000839604140 585331615 /nfs/dbraw/zinc/33/16/15/585331615.db2.gz KVABBNUGCAVSFE-UHFFFAOYSA-N 2 1 247.814 1.554 20 30 BDEDMP C=C(C)COCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246324365 323008663 /nfs/dbraw/zinc/00/86/63/323008663.db2.gz FPEYFCWGWXUOCT-KGLIPLIRSA-N 2 1 238.375 1.796 20 30 BDEDMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000309117474 323318807 /nfs/dbraw/zinc/31/88/07/323318807.db2.gz ROYKUPUGAHTDHD-ZJUUUORDSA-N 2 1 203.289 1.384 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000567890860 326277445 /nfs/dbraw/zinc/27/74/45/326277445.db2.gz CZOTZHOMQDBDQE-SUNKGSAMSA-N 2 1 247.342 1.736 20 30 BDEDMP COCC#CCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000677820217 487518397 /nfs/dbraw/zinc/51/83/97/487518397.db2.gz JJAZMCJPQIJYCJ-KGLIPLIRSA-N 2 1 236.359 1.052 20 30 BDEDMP COCC#CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000677820217 487518401 /nfs/dbraw/zinc/51/84/01/487518401.db2.gz JJAZMCJPQIJYCJ-KGLIPLIRSA-N 2 1 236.359 1.052 20 30 BDEDMP COCC#CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000677820217 487518408 /nfs/dbraw/zinc/51/84/08/487518408.db2.gz JJAZMCJPQIJYCJ-KGLIPLIRSA-N 2 1 236.359 1.052 20 30 BDEDMP COCC#CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000677820217 487518411 /nfs/dbraw/zinc/51/84/11/487518411.db2.gz JJAZMCJPQIJYCJ-KGLIPLIRSA-N 2 1 236.359 1.052 20 30 BDEDMP COCC#CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000677820217 487518416 /nfs/dbraw/zinc/51/84/16/487518416.db2.gz JJAZMCJPQIJYCJ-KGLIPLIRSA-N 2 1 236.359 1.052 20 30 BDEDMP COCC#CCN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000677820251 487518812 /nfs/dbraw/zinc/51/88/12/487518812.db2.gz KOVMNAUJPUIAKR-OLZOCXBDSA-N 2 1 224.348 1.051 20 30 BDEDMP COCC#CC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000677820251 487518820 /nfs/dbraw/zinc/51/88/20/487518820.db2.gz KOVMNAUJPUIAKR-OLZOCXBDSA-N 2 1 224.348 1.051 20 30 BDEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000677820251 487518824 /nfs/dbraw/zinc/51/88/24/487518824.db2.gz KOVMNAUJPUIAKR-OLZOCXBDSA-N 2 1 224.348 1.051 20 30 BDEDMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000119654250 535943772 /nfs/dbraw/zinc/94/37/72/535943772.db2.gz SHHQJASRWCMIQZ-LBPRGKRZSA-N 2 1 223.364 1.810 20 30 BDEDMP C#C[C@H]1CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000895204571 583625078 /nfs/dbraw/zinc/62/50/78/583625078.db2.gz DTDSEXTXSPODKQ-ZDUSSCGKSA-N 2 1 220.360 1.673 20 30 BDEDMP C[NH2+][C@@H]1CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000903420572 584763868 /nfs/dbraw/zinc/76/38/68/584763868.db2.gz CKKUUDREUILKEY-WXRRBKDZSA-N 2 1 221.348 1.610 20 30 BDEDMP C[NH2+][C@@H]1CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903420572 584763869 /nfs/dbraw/zinc/76/38/69/584763869.db2.gz CKKUUDREUILKEY-WXRRBKDZSA-N 2 1 221.348 1.610 20 30 BDEDMP C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)CC[C@H]1[NH3+] ZINC000903425011 584765301 /nfs/dbraw/zinc/76/53/01/584765301.db2.gz ORAMIFPIRUQXED-BLYZHGLHSA-N 2 1 235.375 1.985 20 30 BDEDMP C=CC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903757719 584798693 /nfs/dbraw/zinc/79/86/93/584798693.db2.gz GIKBWEKOWZHBEI-UONOGXRCSA-N 2 1 236.359 1.405 20 30 BDEDMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](C#N)C2)CC[NH2+]1 ZINC000903987628 584835974 /nfs/dbraw/zinc/83/59/74/584835974.db2.gz IAHAEUXIAYTHIE-JHJVBQTASA-N 2 1 221.348 1.610 20 30 BDEDMP N#C[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903988489 584836041 /nfs/dbraw/zinc/83/60/41/584836041.db2.gz SWSDYLDFCCZNQL-RLAWYHOSSA-N 2 1 233.359 1.753 20 30 BDEDMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](C#N)C2)CC[NH2+]1 ZINC000903987627 584836102 /nfs/dbraw/zinc/83/61/02/584836102.db2.gz IAHAEUXIAYTHIE-FRRDWIJNSA-N 2 1 221.348 1.610 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1C[NH3+] ZINC000904411369 584879720 /nfs/dbraw/zinc/87/97/20/584879720.db2.gz UWFQWRAUCJFMDM-WFASDCNBSA-N 2 1 243.354 1.975 20 30 BDEDMP C#CCOCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000762926613 585439642 /nfs/dbraw/zinc/43/96/42/585439642.db2.gz LZXQBSWVJHVRQB-UHFFFAOYSA-N 2 1 235.331 1.163 20 30 BDEDMP C#CCOCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000762926613 585439643 /nfs/dbraw/zinc/43/96/43/585439643.db2.gz LZXQBSWVJHVRQB-UHFFFAOYSA-N 2 1 235.331 1.163 20 30 BDEDMP C#C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@H]1CCCO1 ZINC000775792699 585685352 /nfs/dbraw/zinc/68/53/52/585685352.db2.gz IIXIZILYPPCWDK-MELADBBJSA-N 2 1 236.359 1.241 20 30 BDEDMP C#C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCCO1 ZINC000775792699 585685353 /nfs/dbraw/zinc/68/53/53/585685353.db2.gz IIXIZILYPPCWDK-MELADBBJSA-N 2 1 236.359 1.241 20 30 BDEDMP C[N@H+](CCC[NH+]1CCCC1)CCOCCC#N ZINC000815108128 586667037 /nfs/dbraw/zinc/66/70/37/586667037.db2.gz XVNMFGGCKXRDQN-UHFFFAOYSA-N 2 1 239.363 1.334 20 30 BDEDMP C[N@@H+](CCC[NH+]1CCCC1)CCOCCC#N ZINC000815108128 586667038 /nfs/dbraw/zinc/66/70/38/586667038.db2.gz XVNMFGGCKXRDQN-UHFFFAOYSA-N 2 1 239.363 1.334 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000815652549 586690826 /nfs/dbraw/zinc/69/08/26/586690826.db2.gz HVHWNHGOLGZOIS-KGLIPLIRSA-N 2 1 233.359 1.613 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000815652549 586690827 /nfs/dbraw/zinc/69/08/27/586690827.db2.gz HVHWNHGOLGZOIS-KGLIPLIRSA-N 2 1 233.359 1.613 20 30 BDEDMP C#CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000830345821 587546763 /nfs/dbraw/zinc/54/67/63/587546763.db2.gz USRXEQVYBLHWEY-AWEZNQCLSA-N 2 1 220.360 1.816 20 30 BDEDMP C#CCCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000846940465 588297848 /nfs/dbraw/zinc/29/78/48/588297848.db2.gz SSKZIWZRGYBABC-UHFFFAOYSA-N 2 1 238.375 1.225 20 30 BDEDMP C#C[C@@H]1CCC[N@H+](CCn2ccnc2C)C1 ZINC000847021773 588302688 /nfs/dbraw/zinc/30/26/88/588302688.db2.gz PAOZBWMGKSVWJC-CYBMUJFWSA-N 2 1 217.316 1.537 20 30 BDEDMP C#CCOCC[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000851790897 588629049 /nfs/dbraw/zinc/62/90/49/588629049.db2.gz RAULKPQHMYQTQO-CQSZACIVSA-N 2 1 238.375 1.300 20 30 BDEDMP C#CCOCC[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000851790897 588629050 /nfs/dbraw/zinc/62/90/50/588629050.db2.gz RAULKPQHMYQTQO-CQSZACIVSA-N 2 1 238.375 1.300 20 30 BDEDMP C#CCC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000852123753 588665541 /nfs/dbraw/zinc/66/55/41/588665541.db2.gz JFAKAJJWMVQGEI-UHFFFAOYSA-N 2 1 238.375 1.082 20 30 BDEDMP C#CCC[N@@H+](CCCn1cc[nH+]c1C)CCOC ZINC000852750703 588700140 /nfs/dbraw/zinc/70/01/40/588700140.db2.gz COMLJMMZQGVHGE-UHFFFAOYSA-N 2 1 249.358 1.553 20 30 BDEDMP C#CCC[N@H+](CCCn1cc[nH+]c1C)CCOC ZINC000852750703 588700141 /nfs/dbraw/zinc/70/01/41/588700141.db2.gz COMLJMMZQGVHGE-UHFFFAOYSA-N 2 1 249.358 1.553 20 30 BDEDMP C=C(Cl)C[C@H]([NH3+])c1nc(C[C@H](C)[NH2+]C)no1 ZINC000871787812 589819147 /nfs/dbraw/zinc/81/91/47/589819147.db2.gz ASTWUZDZZMMFLB-YUMQZZPRSA-N 2 1 244.726 1.362 20 30 BDEDMP C[N@@H+]1CC[C@@H]2C[NH+](CCCCC#N)CC[C@@H]21 ZINC000879571340 590806905 /nfs/dbraw/zinc/80/69/05/590806905.db2.gz PPZKMARMEWYZKD-OLZOCXBDSA-N 2 1 221.348 1.706 20 30 BDEDMP C[N@H+]1CC[C@@H]2C[NH+](CCCCC#N)CC[C@@H]21 ZINC000879571340 590806909 /nfs/dbraw/zinc/80/69/09/590806909.db2.gz PPZKMARMEWYZKD-OLZOCXBDSA-N 2 1 221.348 1.706 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@H+](CCCCC#N)CC[C@@H]21 ZINC000879571340 590806912 /nfs/dbraw/zinc/80/69/12/590806912.db2.gz PPZKMARMEWYZKD-OLZOCXBDSA-N 2 1 221.348 1.706 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCC#N)CC[C@@H]21 ZINC000879571340 590806914 /nfs/dbraw/zinc/80/69/14/590806914.db2.gz PPZKMARMEWYZKD-OLZOCXBDSA-N 2 1 221.348 1.706 20 30 BDEDMP C=CCOCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579531 590818609 /nfs/dbraw/zinc/81/86/09/590818609.db2.gz NHAKAXYPUUPQGU-CHWSQXEVSA-N 2 1 224.348 1.215 20 30 BDEDMP C=CCOCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579531 590818612 /nfs/dbraw/zinc/81/86/12/590818612.db2.gz NHAKAXYPUUPQGU-CHWSQXEVSA-N 2 1 224.348 1.215 20 30 BDEDMP C=CCOCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579531 590818614 /nfs/dbraw/zinc/81/86/14/590818614.db2.gz NHAKAXYPUUPQGU-CHWSQXEVSA-N 2 1 224.348 1.215 20 30 BDEDMP C=CCOCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579531 590818617 /nfs/dbraw/zinc/81/86/17/590818617.db2.gz NHAKAXYPUUPQGU-CHWSQXEVSA-N 2 1 224.348 1.215 20 30 BDEDMP C=C(C)[C@@H](CO)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474246 591053152 /nfs/dbraw/zinc/05/31/52/591053152.db2.gz WBBRJMMKALFMEQ-CYBMUJFWSA-N 2 1 238.375 1.484 20 30 BDEDMP CCC#C[C@H](C)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001576924281 993454292 /nfs/dbraw/zinc/45/42/92/993454292.db2.gz XWRDPXSJCDEGAR-STQMWFEESA-N 2 1 208.349 1.720 20 30 BDEDMP CCC#C[C@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001576924281 993454299 /nfs/dbraw/zinc/45/42/99/993454299.db2.gz XWRDPXSJCDEGAR-STQMWFEESA-N 2 1 208.349 1.720 20 30 BDEDMP Cc1cccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C)C2)c1 ZINC000104172170 634566679 /nfs/dbraw/zinc/56/66/79/634566679.db2.gz HUUNXKKKRWQXRW-GFCCVEGCSA-N 2 1 246.358 1.673 20 30 BDEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NCC(C)C)C1 ZINC000104179649 634590281 /nfs/dbraw/zinc/59/02/81/634590281.db2.gz AIOLHZQCOZOXHG-LBPRGKRZSA-N 2 1 240.395 1.279 20 30 BDEDMP C=CC[C@@H]1CC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000934470639 631863624 /nfs/dbraw/zinc/86/36/24/631863624.db2.gz PDDHVDRDENJOES-CHWSQXEVSA-N 2 1 224.348 1.094 20 30 BDEDMP C=CC[C@@H]1CC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000934470639 631863627 /nfs/dbraw/zinc/86/36/27/631863627.db2.gz PDDHVDRDENJOES-CHWSQXEVSA-N 2 1 224.348 1.094 20 30 BDEDMP C=C(C)CNC(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1 ZINC000849005066 631904818 /nfs/dbraw/zinc/90/48/18/631904818.db2.gz UEZLJWIUQPKFBA-LLVKDONJSA-N 2 1 224.352 1.018 20 30 BDEDMP CCCCNC(=[NH2+])NCC[N@@H+](C)[C@H](C)CC ZINC000303973689 636320856 /nfs/dbraw/zinc/32/08/56/636320856.db2.gz HAKSJZWXWZEEBQ-LLVKDONJSA-N 2 1 228.384 1.421 20 30 BDEDMP C=CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C(=O)OC ZINC000905778493 637908512 /nfs/dbraw/zinc/90/85/12/637908512.db2.gz KGZWMPUJUHMXFU-GRYCIOLGSA-N 2 1 240.347 1.034 20 30 BDEDMP C=C(C)C[N@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000906649529 638228437 /nfs/dbraw/zinc/22/84/37/638228437.db2.gz FUUUDBKICBHQPZ-CYBMUJFWSA-N 2 1 226.364 1.341 20 30 BDEDMP C=C(C)C[N@@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000906649529 638228438 /nfs/dbraw/zinc/22/84/38/638228438.db2.gz FUUUDBKICBHQPZ-CYBMUJFWSA-N 2 1 226.364 1.341 20 30 BDEDMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@H]3CC[C@H](C#N)C3)C[C@H]21 ZINC000931277582 640127846 /nfs/dbraw/zinc/12/78/46/640127846.db2.gz LZPXAOPOPPPHNW-JZRPKSSGSA-N 2 1 219.332 1.170 20 30 BDEDMP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@H]3CC[C@H](C#N)C3)C[C@H]21 ZINC000931277582 640127854 /nfs/dbraw/zinc/12/78/54/640127854.db2.gz LZPXAOPOPPPHNW-JZRPKSSGSA-N 2 1 219.332 1.170 20 30 BDEDMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC000931438845 640202892 /nfs/dbraw/zinc/20/28/92/640202892.db2.gz QFUJXSVRHQJVJV-MQYQWHSLSA-N 2 1 233.359 1.562 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC000931438845 640202900 /nfs/dbraw/zinc/20/29/00/640202900.db2.gz QFUJXSVRHQJVJV-MQYQWHSLSA-N 2 1 233.359 1.562 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC000931438845 640202905 /nfs/dbraw/zinc/20/29/05/640202905.db2.gz QFUJXSVRHQJVJV-MQYQWHSLSA-N 2 1 233.359 1.562 20 30 BDEDMP CCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000305035242 642632764 /nfs/dbraw/zinc/63/27/64/642632764.db2.gz SGGGFTQJFBXMDE-LBPRGKRZSA-N 2 1 240.395 1.279 20 30 BDEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])N2CCCCCC2)C1 ZINC000305049291 642634430 /nfs/dbraw/zinc/63/44/30/642634430.db2.gz GNLBONAUILGQIR-GFCCVEGCSA-N 2 1 238.379 1.129 20 30 BDEDMP CNC(NC[C@H]1CCC[N@@H+](CC(C)C)C1)=[NH+]C ZINC000305208501 642646578 /nfs/dbraw/zinc/64/65/78/642646578.db2.gz OUUWURRQVARXPY-GFCCVEGCSA-N 2 1 240.395 1.149 20 30 BDEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC000305801263 642699149 /nfs/dbraw/zinc/69/91/49/642699149.db2.gz DJUCAWLAOSYMAC-NSHDSACASA-N 2 1 238.379 1.127 20 30 BDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000306406260 643324274 /nfs/dbraw/zinc/32/42/74/643324274.db2.gz WZUDDEKNUWUTOQ-QWRGUYRKSA-N 2 1 214.740 1.800 20 30 BDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000306406260 643324277 /nfs/dbraw/zinc/32/42/77/643324277.db2.gz WZUDDEKNUWUTOQ-QWRGUYRKSA-N 2 1 214.740 1.800 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000923387945 644400543 /nfs/dbraw/zinc/40/05/43/644400543.db2.gz PDTOSEXNPPTRHL-IHRRRGAJSA-N 2 1 240.391 1.763 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923430644 644424670 /nfs/dbraw/zinc/42/46/70/644424670.db2.gz JBSFULQNNORCMM-UPJWGTAASA-N 2 1 226.364 1.230 20 30 BDEDMP CNC(NC[C@H](C)[N@H+]1CCCC[C@H]1C)=[NH+]C ZINC000303253115 644811855 /nfs/dbraw/zinc/81/18/55/644811855.db2.gz CGRGGDWJUCPCQN-MNOVXSKESA-N 2 1 226.368 1.044 20 30 BDEDMP CNC(=[NH2+])NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303259966 644813834 /nfs/dbraw/zinc/81/38/34/644813834.db2.gz MMNMETBRFPCHII-PHIMTYICSA-N 2 1 240.395 1.277 20 30 BDEDMP CCCNC(=[NH2+])NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000303898527 644855672 /nfs/dbraw/zinc/85/56/72/644855672.db2.gz RADFIXILBCQHSO-VXGBXAGGSA-N 2 1 240.395 1.421 20 30 BDEDMP CCCNC(=[NH2+])NC[C@H]1CC[N@@H+](CCC)C1 ZINC000303895155 644856137 /nfs/dbraw/zinc/85/61/37/644856137.db2.gz SZZZXCNIVWLYQP-LLVKDONJSA-N 2 1 226.368 1.033 20 30 BDEDMP CC(C)NC(=[NH2+])NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000303903204 644856600 /nfs/dbraw/zinc/85/66/00/644856600.db2.gz YHKJLIWXYZREPM-LBPRGKRZSA-N 2 1 240.395 1.420 20 30 BDEDMP CCCNC(=[NH2+])NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000303898525 644856617 /nfs/dbraw/zinc/85/66/17/644856617.db2.gz RADFIXILBCQHSO-NWDGAFQWSA-N 2 1 240.395 1.421 20 30 BDEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NC(C)(C)C ZINC000304742238 644929159 /nfs/dbraw/zinc/92/91/59/644929159.db2.gz COLSNOJSNMPGDV-NSHDSACASA-N 2 1 240.395 1.564 20 30 BDEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1CC ZINC000304758275 644931555 /nfs/dbraw/zinc/93/15/55/644931555.db2.gz PTZTUNTYGUROAI-LBPRGKRZSA-N 2 1 238.379 1.341 20 30 BDEDMP C=CCSCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925592561 646349025 /nfs/dbraw/zinc/34/90/25/646349025.db2.gz XGEKXLQRYRMMBV-LLVKDONJSA-N 2 1 226.389 1.780 20 30 BDEDMP C=CCSCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925592875 646349856 /nfs/dbraw/zinc/34/98/56/646349856.db2.gz ZFEDIZKCCWNCEU-SNVBAGLBSA-N 2 1 214.378 1.636 20 30 BDEDMP C#CCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394176870 711684227 /nfs/dbraw/zinc/68/42/27/711684227.db2.gz UEQIXPMUFNQEBM-PBWFPOADSA-N 2 1 220.360 1.957 20 30 BDEDMP C#CCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394176870 711684229 /nfs/dbraw/zinc/68/42/29/711684229.db2.gz UEQIXPMUFNQEBM-PBWFPOADSA-N 2 1 220.360 1.957 20 30 BDEDMP C#CCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394176870 711684232 /nfs/dbraw/zinc/68/42/32/711684232.db2.gz UEQIXPMUFNQEBM-PBWFPOADSA-N 2 1 220.360 1.957 20 30 BDEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724335 711893610 /nfs/dbraw/zinc/89/36/10/711893610.db2.gz MFKAXTLPOJXIIQ-SNVBAGLBSA-N 2 1 202.729 1.800 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]CC(C)(C)CCC#N ZINC000383067212 710945182 /nfs/dbraw/zinc/94/51/82/710945182.db2.gz OYZXNIOBUJVQEE-UHFFFAOYSA-N 2 1 235.375 1.861 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]CC(C)(C)CCC#N ZINC000383067212 710945183 /nfs/dbraw/zinc/94/51/83/710945183.db2.gz OYZXNIOBUJVQEE-UHFFFAOYSA-N 2 1 235.375 1.861 20 30 BDEDMP C#CC[N@@H+](C)CCCN[C@H]1CCc2cccnc21 ZINC000385859221 711019626 /nfs/dbraw/zinc/01/96/26/711019626.db2.gz WNICEGZBPCSQEG-AWEZNQCLSA-N 2 1 243.354 1.614 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]CC(C)(C)COC ZINC000700610405 711999620 /nfs/dbraw/zinc/99/96/20/711999620.db2.gz GYVNJCSIZZTOGM-UHFFFAOYSA-N 2 1 226.364 1.204 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]CC(C)(C)COC ZINC000700610405 711999622 /nfs/dbraw/zinc/99/96/22/711999622.db2.gz GYVNJCSIZZTOGM-UHFFFAOYSA-N 2 1 226.364 1.204 20 30 BDEDMP C=CC[NH+]1CCN(c2cc(N(C)C)cc[nH+]2)CC1 ZINC001165031399 721866936 /nfs/dbraw/zinc/86/69/36/721866936.db2.gz HHDLGONCRNFZDZ-UHFFFAOYSA-N 2 1 246.358 1.456 20 30 BDEDMP C#CC[N@@H+](C)CCCNCc1ccns1 ZINC000404439019 959269965 /nfs/dbraw/zinc/26/99/65/959269965.db2.gz UYFAWBREUAGCEY-UHFFFAOYSA-N 2 1 223.345 1.188 20 30 BDEDMP C#CCN(C)CCC[NH2+]Cc1ccns1 ZINC000404439019 959269977 /nfs/dbraw/zinc/26/99/77/959269977.db2.gz UYFAWBREUAGCEY-UHFFFAOYSA-N 2 1 223.345 1.188 20 30 BDEDMP C#CCCC[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545655 967692900 /nfs/dbraw/zinc/69/29/00/967692900.db2.gz LFDIDLUQYKCDKS-GFCCVEGCSA-N 2 1 212.312 1.553 20 30 BDEDMP C[N@@H+](CCC#N)CC1(C)CC[NH+](C)CC1 ZINC001208105310 968999401 /nfs/dbraw/zinc/99/94/01/968999401.db2.gz UGBSJVDKEXNKKB-UHFFFAOYSA-N 2 1 209.337 1.564 20 30 BDEDMP C=CC[NH+]1CCN(C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208607879 969161253 /nfs/dbraw/zinc/16/12/53/969161253.db2.gz OFDGADYBSZLMQY-AWEZNQCLSA-N 2 1 237.391 1.132 20 30 BDEDMP C=CC[NH+]1CCN(C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208607879 969161266 /nfs/dbraw/zinc/16/12/66/969161266.db2.gz OFDGADYBSZLMQY-AWEZNQCLSA-N 2 1 237.391 1.132 20 30 BDEDMP C=C[C@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001253605650 969303480 /nfs/dbraw/zinc/30/34/80/969303480.db2.gz VOPPQGRASHDIJK-RNJOBUHISA-N 2 1 224.348 1.138 20 30 BDEDMP C=CC[N@@H+](CCC[NH2+]C1CC1)[C@H](C)COC ZINC000691815277 983798049 /nfs/dbraw/zinc/79/80/49/983798049.db2.gz OZHPLFWPEBTFEV-GFCCVEGCSA-N 2 1 226.364 1.651 20 30 BDEDMP C=CC[N@H+](CCC[NH2+]C1CC1)[C@H](C)COC ZINC000691815277 983798054 /nfs/dbraw/zinc/79/80/54/983798054.db2.gz OZHPLFWPEBTFEV-GFCCVEGCSA-N 2 1 226.364 1.651 20 30 BDEDMP C#CC[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256860984 971001024 /nfs/dbraw/zinc/00/10/24/971001024.db2.gz JVMLEKRXWNQTQW-UHFFFAOYSA-N 2 1 229.327 1.615 20 30 BDEDMP N#CC1CCC([N@@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC001256953184 971025301 /nfs/dbraw/zinc/02/53/01/971025301.db2.gz CTDVVTAKVFAYII-CXQJBGSLSA-N 2 1 207.321 1.492 20 30 BDEDMP N#CC1CCC([N@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC001256953184 971025311 /nfs/dbraw/zinc/02/53/11/971025311.db2.gz CTDVVTAKVFAYII-CXQJBGSLSA-N 2 1 207.321 1.492 20 30 BDEDMP C#CC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172104157 974365769 /nfs/dbraw/zinc/36/57/69/974365769.db2.gz AHDCPFXDMXLWNF-CLLJXQQHSA-N 2 1 218.344 1.757 20 30 BDEDMP CC1(C[NH3+])C[NH+](CCCc2cccc(C#N)c2)C1 ZINC001206712213 966259062 /nfs/dbraw/zinc/25/90/62/966259062.db2.gz XFUUBLXNPSXAQT-UHFFFAOYSA-N 2 1 243.354 1.771 20 30 BDEDMP C=CCn1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cn1 ZINC001205273303 967466628 /nfs/dbraw/zinc/46/66/28/967466628.db2.gz JYMGYODKTORFGW-CQSZACIVSA-N 2 1 248.374 1.772 20 30 BDEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206156989 968093887 /nfs/dbraw/zinc/09/38/87/968093887.db2.gz VGAICSNCZPXTQK-ZIAGYGMSSA-N 2 1 247.317 1.819 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206156989 968093902 /nfs/dbraw/zinc/09/39/02/968093902.db2.gz VGAICSNCZPXTQK-ZIAGYGMSSA-N 2 1 247.317 1.819 20 30 BDEDMP C=C[C@](C)(O)CN1CCC([N@H+](C)CC)CC1 ZINC001252556067 968799144 /nfs/dbraw/zinc/79/91/44/968799144.db2.gz DITVQCGGDNPKSQ-ZDUSSCGKSA-N 2 1 226.364 1.340 20 30 BDEDMP C=C[C@](C)(O)C[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001252556067 968799153 /nfs/dbraw/zinc/79/91/53/968799153.db2.gz DITVQCGGDNPKSQ-ZDUSSCGKSA-N 2 1 226.364 1.340 20 30 BDEDMP C=C[C@](C)(O)C[NH+]1CCC([N@H+](C)CC)CC1 ZINC001252556067 968799164 /nfs/dbraw/zinc/79/91/64/968799164.db2.gz DITVQCGGDNPKSQ-ZDUSSCGKSA-N 2 1 226.364 1.340 20 30 BDEDMP C=C[C@](C)(O)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001252562485 968811971 /nfs/dbraw/zinc/81/19/71/968811971.db2.gz SOHQJOUTGKPATL-ZDUSSCGKSA-N 2 1 224.348 1.094 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+](CC)CCC[NH+](C)C ZINC001252601645 968859904 /nfs/dbraw/zinc/85/99/04/968859904.db2.gz AZCBSUVFOJMFMM-CYBMUJFWSA-N 2 1 228.380 1.587 20 30 BDEDMP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC(S)CC1 ZINC001253392969 969153233 /nfs/dbraw/zinc/15/32/33/969153233.db2.gz ONNVLONVSPIKSM-SNVBAGLBSA-N 2 1 246.420 1.130 20 30 BDEDMP N#C[C@H]1CC[C@H](n2c[nH+]cc2CC[NH3+])C1 ZINC001254634498 969751637 /nfs/dbraw/zinc/75/16/37/969751637.db2.gz GXYDCIZNYUEGPA-UWVGGRQHSA-N 2 1 204.277 1.249 20 30 BDEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]C1(C[NH3+])CC1 ZINC001171200993 972881839 /nfs/dbraw/zinc/88/18/39/972881839.db2.gz GCNYKRYLFBLCNH-LLVKDONJSA-N 2 1 229.327 1.570 20 30 BDEDMP N#CC1CCC([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246862772 973177784 /nfs/dbraw/zinc/17/77/84/973177784.db2.gz RIIGEZHUAOYVIK-MVKMKZAISA-N 2 1 219.332 1.492 20 30 BDEDMP C#C[C@H](C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172246902 974514210 /nfs/dbraw/zinc/51/42/10/974514210.db2.gz ZQGNZTLHZGLKMG-LBPRGKRZSA-N 2 1 224.348 1.099 20 30 BDEDMP C[C@@H](CCCC#N)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001172478015 974776686 /nfs/dbraw/zinc/77/66/86/974776686.db2.gz AWIGXHLARFDRAF-NWDGAFQWSA-N 2 1 209.337 1.610 20 30 BDEDMP C=CCCOCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001178412117 978569232 /nfs/dbraw/zinc/56/92/32/978569232.db2.gz BYVWMTCQICBOKZ-UHFFFAOYSA-N 2 1 249.358 1.830 20 30 BDEDMP C[N@@H+]1CC[C@H]2C[NH+](CCC#N)C[C@H]2CC1 ZINC001277936156 979021558 /nfs/dbraw/zinc/02/15/58/979021558.db2.gz AUNUGEMEWSCZTA-TXEJJXNPSA-N 2 1 207.321 1.174 20 30 BDEDMP C[NH+]1CC[C@H]2C[N@@H+](CCC#N)C[C@H]2CC1 ZINC001277936156 979021560 /nfs/dbraw/zinc/02/15/60/979021560.db2.gz AUNUGEMEWSCZTA-TXEJJXNPSA-N 2 1 207.321 1.174 20 30 BDEDMP C[NH+]1CC[C@H]2C[N@H+](CCC#N)C[C@H]2CC1 ZINC001277936156 979021563 /nfs/dbraw/zinc/02/15/63/979021563.db2.gz AUNUGEMEWSCZTA-TXEJJXNPSA-N 2 1 207.321 1.174 20 30 BDEDMP C=C(C)C[N@H+](CC)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235950175 979221176 /nfs/dbraw/zinc/22/11/76/979221176.db2.gz SUWSLCBQPCNEMD-LBPRGKRZSA-N 2 1 226.364 1.999 20 30 BDEDMP C=C(C)C[N@@H+](CC)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235950175 979221188 /nfs/dbraw/zinc/22/11/88/979221188.db2.gz SUWSLCBQPCNEMD-LBPRGKRZSA-N 2 1 226.364 1.999 20 30 BDEDMP C=CCCC[C@H]([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC001341585712 979478169 /nfs/dbraw/zinc/47/81/69/979478169.db2.gz QBJRPPSPAKBMEH-LBPRGKRZSA-N 2 1 241.379 1.126 20 30 BDEDMP C#CCCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205604817 981182129 /nfs/dbraw/zinc/18/21/29/981182129.db2.gz XSELZHZVYBFBLG-STQMWFEESA-N 2 1 208.349 1.707 20 30 BDEDMP C#CCCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205761608 982406833 /nfs/dbraw/zinc/40/68/33/982406833.db2.gz IQWFLGJNJBKVKS-SNVBAGLBSA-N 2 1 216.275 1.316 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001252589794 983839535 /nfs/dbraw/zinc/83/95/35/983839535.db2.gz QYPXPGXGMGBUMG-CYBMUJFWSA-N 2 1 226.364 1.340 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+](C)C1CC[NH+](C)CC1 ZINC001252589794 983839537 /nfs/dbraw/zinc/83/95/37/983839537.db2.gz QYPXPGXGMGBUMG-CYBMUJFWSA-N 2 1 226.364 1.340 20 30 BDEDMP C[C@@H](C#N)OCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000685997265 985032725 /nfs/dbraw/zinc/03/27/25/985032725.db2.gz CGTVRNQKAHAJRE-QWHCGFSZSA-N 2 1 239.363 1.189 20 30 BDEDMP C[C@@H](C#N)OCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000685997265 985032746 /nfs/dbraw/zinc/03/27/46/985032746.db2.gz CGTVRNQKAHAJRE-QWHCGFSZSA-N 2 1 239.363 1.189 20 30 BDEDMP C[C@@H](C#N)OCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000685997265 985032756 /nfs/dbraw/zinc/03/27/56/985032756.db2.gz CGTVRNQKAHAJRE-QWHCGFSZSA-N 2 1 239.363 1.189 20 30 BDEDMP CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC001578424555 985056077 /nfs/dbraw/zinc/05/60/77/985056077.db2.gz LITYABFJEIEGQH-JOCQHMNTSA-N 2 1 244.342 1.204 20 30 BDEDMP N#CC1(C[NH2+]CCC2([NH3+])CCOCC2)CCC1 ZINC001580041157 986446812 /nfs/dbraw/zinc/44/68/12/986446812.db2.gz VZFNYSBMWCNHPO-UHFFFAOYSA-N 2 1 237.347 1.168 20 30 BDEDMP CC(C)[N@@H+](CCC#N)CC1CC[NH+](C)CC1 ZINC000691573609 987283743 /nfs/dbraw/zinc/28/37/43/987283743.db2.gz VHLWHIWNJGCICF-UHFFFAOYSA-N 2 1 223.364 1.952 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246017607 987302567 /nfs/dbraw/zinc/30/25/67/987302567.db2.gz RYCSTMLHJVFSRQ-RYUDHWBXSA-N 2 1 212.337 1.127 20 30 BDEDMP C=C[C@@](C)(O)C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246025289 987316964 /nfs/dbraw/zinc/31/69/64/987316964.db2.gz VZIWGMFPBSCQPW-NEPJUHHUSA-N 2 1 230.327 1.076 20 30 BDEDMP N#C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246205357 987602696 /nfs/dbraw/zinc/60/26/96/987602696.db2.gz MWGMNINHFZATOB-IJLUTSLNSA-N 2 1 207.321 1.410 20 30 BDEDMP CCCCCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246486795 987843196 /nfs/dbraw/zinc/84/31/96/987843196.db2.gz FODDJXKSKIIQFW-KBPBESRZSA-N 2 1 241.423 1.886 20 30 BDEDMP C=CCC[C@H](C)N1CC[NH+](CCCC[NH3+])CC1 ZINC001258725991 991668249 /nfs/dbraw/zinc/66/82/49/991668249.db2.gz PFEDHUJHOQZDCX-AWEZNQCLSA-N 2 1 239.407 1.698 20 30 BDEDMP C=CCC[C@H](C)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001258732552 991676478 /nfs/dbraw/zinc/67/64/78/991676478.db2.gz NDKQQQZEHGPIPE-AWEZNQCLSA-N 2 1 239.407 1.520 20 30 BDEDMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC(C#N)CC3)[C@@H]2C1 ZINC001561052655 991707074 /nfs/dbraw/zinc/70/70/74/991707074.db2.gz HLXRLVNBGSIEDB-OGONIBCJSA-N 2 1 247.386 1.999 20 30 BDEDMP C#CC[N@H+](CC)Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001574637023 992881727 /nfs/dbraw/zinc/88/17/27/992881727.db2.gz DBSZQDAFGLRZCK-UHFFFAOYSA-N 2 1 247.342 1.144 20 30 BDEDMP C=CC[N@H+](C[C@@H](O)CC[NH3+])CC1CCCCC1 ZINC001574927038 992947211 /nfs/dbraw/zinc/94/72/11/992947211.db2.gz BYQIITQDIBKHHN-AWEZNQCLSA-N 2 1 240.391 1.764 20 30 BDEDMP C[C@@H](CCC#N)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001575941019 993122982 /nfs/dbraw/zinc/12/29/82/993122982.db2.gz HBBJQYWFQFMRJU-TUAOUCFPSA-N 2 1 207.321 1.220 20 30 BDEDMP C#C[C@](C)(CC)[NH2+]C[C@H](O)C[NH+](CC)CC ZINC000384222730 993556956 /nfs/dbraw/zinc/55/69/56/993556956.db2.gz SYVOFKFCZPEHJW-QWHCGFSZSA-N 2 1 226.364 1.081 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000424291562 398180436 /nfs/dbraw/zinc/18/04/36/398180436.db2.gz DQJJXTSGISDYNR-FQUUOJAGSA-N 2 1 238.375 1.650 20 30 BDEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CC[N@@H+]1C ZINC000336731338 136218353 /nfs/dbraw/zinc/21/83/53/136218353.db2.gz FFGWMNFMJTXGCY-MROQNXINSA-N 2 1 221.348 1.751 20 30 BDEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CC[N@H+]1C ZINC000336731338 136218354 /nfs/dbraw/zinc/21/83/54/136218354.db2.gz FFGWMNFMJTXGCY-MROQNXINSA-N 2 1 221.348 1.751 20 30 BDEDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309363726 259312504 /nfs/dbraw/zinc/31/25/04/259312504.db2.gz AVZLNONSWQCVAR-XQHKEYJVSA-N 2 1 221.348 1.608 20 30 BDEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309363726 259312505 /nfs/dbraw/zinc/31/25/05/259312505.db2.gz AVZLNONSWQCVAR-XQHKEYJVSA-N 2 1 221.348 1.608 20 30 BDEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C1 ZINC000329724863 136255685 /nfs/dbraw/zinc/25/56/85/136255685.db2.gz BQPFMYUUWCJYMA-GRYCIOLGSA-N 2 1 244.342 1.939 20 30 BDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000339010286 136279678 /nfs/dbraw/zinc/27/96/78/136279678.db2.gz JEGSMAJAJUANEV-CHWSQXEVSA-N 2 1 226.364 1.604 20 30 BDEDMP C=CCOCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000339010286 136279679 /nfs/dbraw/zinc/27/96/79/136279679.db2.gz JEGSMAJAJUANEV-CHWSQXEVSA-N 2 1 226.364 1.604 20 30 BDEDMP C=CCOCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000339010286 136279680 /nfs/dbraw/zinc/27/96/80/136279680.db2.gz JEGSMAJAJUANEV-CHWSQXEVSA-N 2 1 226.364 1.604 20 30 BDEDMP C=CCOCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000339010286 136279681 /nfs/dbraw/zinc/27/96/81/136279681.db2.gz JEGSMAJAJUANEV-CHWSQXEVSA-N 2 1 226.364 1.604 20 30 BDEDMP C=CC[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000625703210 344048271 /nfs/dbraw/zinc/04/82/71/344048271.db2.gz RHPPKTLZABUKMU-TZMCWYRMSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CC[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000625703210 344048274 /nfs/dbraw/zinc/04/82/74/344048274.db2.gz RHPPKTLZABUKMU-TZMCWYRMSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CC[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000625703210 344048277 /nfs/dbraw/zinc/04/82/77/344048277.db2.gz RHPPKTLZABUKMU-TZMCWYRMSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CC[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000625703210 344048279 /nfs/dbraw/zinc/04/82/79/344048279.db2.gz RHPPKTLZABUKMU-TZMCWYRMSA-N 2 1 238.375 1.340 20 30 BDEDMP Cc1cc(C#N)ccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000166165976 344755127 /nfs/dbraw/zinc/75/51/27/344755127.db2.gz SWKNKWIXOKLBCA-GJZGRUSLSA-N 2 1 241.338 1.518 20 30 BDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158947424 345390861 /nfs/dbraw/zinc/39/08/61/345390861.db2.gz SPZGYZBEIGVFSE-CHWSQXEVSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](C)COC)CC1 ZINC000187823484 346619547 /nfs/dbraw/zinc/61/95/47/346619547.db2.gz AAPMFNSBTIPQQF-GFCCVEGCSA-N 2 1 226.364 1.509 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H]1CC ZINC000382293708 347261905 /nfs/dbraw/zinc/26/19/05/347261905.db2.gz LOUJNVXEPTVSOU-OLZOCXBDSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@H]1CC ZINC000382293708 347261909 /nfs/dbraw/zinc/26/19/09/347261909.db2.gz LOUJNVXEPTVSOU-OLZOCXBDSA-N 2 1 208.349 1.720 20 30 BDEDMP CC#CCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000364514023 347461429 /nfs/dbraw/zinc/46/14/29/347461429.db2.gz OMRMHSJQEPENNG-ILXRZTDVSA-N 2 1 232.371 1.816 20 30 BDEDMP CC#CCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000364514023 347461431 /nfs/dbraw/zinc/46/14/31/347461431.db2.gz OMRMHSJQEPENNG-ILXRZTDVSA-N 2 1 232.371 1.816 20 30 BDEDMP CC#CCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000364514023 347461433 /nfs/dbraw/zinc/46/14/33/347461433.db2.gz OMRMHSJQEPENNG-ILXRZTDVSA-N 2 1 232.371 1.816 20 30 BDEDMP N#Cc1ccc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000595293957 348215352 /nfs/dbraw/zinc/21/53/52/348215352.db2.gz VMSIPDWFOAKEQJ-GASCZTMLSA-N 2 1 241.338 1.252 20 30 BDEDMP C=CCOCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623487682 362911297 /nfs/dbraw/zinc/91/12/97/362911297.db2.gz MRFBEBLVKYUPGM-GFCCVEGCSA-N 2 1 226.364 1.651 20 30 BDEDMP C[C@]1(C#N)CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000595904511 348396395 /nfs/dbraw/zinc/39/63/95/348396395.db2.gz DZHQCBBTYOYRHF-NWDGAFQWSA-N 2 1 207.321 1.222 20 30 BDEDMP C[N@H+]1CC[C@@H]([NH2+]CCCC#N)CC1(C)C ZINC000598972419 349069662 /nfs/dbraw/zinc/06/96/62/349069662.db2.gz RFPGVMLGDJDPPO-LLVKDONJSA-N 2 1 209.337 1.753 20 30 BDEDMP CC#CCN(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000336646688 350415464 /nfs/dbraw/zinc/41/54/64/350415464.db2.gz LCWLUPFKLVYQKP-CHWSQXEVSA-N 2 1 208.349 1.814 20 30 BDEDMP CC#CC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000336646688 350415467 /nfs/dbraw/zinc/41/54/67/350415467.db2.gz LCWLUPFKLVYQKP-CHWSQXEVSA-N 2 1 208.349 1.814 20 30 BDEDMP CC#CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000336646688 350415468 /nfs/dbraw/zinc/41/54/68/350415468.db2.gz LCWLUPFKLVYQKP-CHWSQXEVSA-N 2 1 208.349 1.814 20 30 BDEDMP C=CC1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336718283 350469145 /nfs/dbraw/zinc/46/91/45/350469145.db2.gz RACVVQWENHDKIC-CQSZACIVSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CC1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000336718283 350469147 /nfs/dbraw/zinc/46/91/47/350469147.db2.gz RACVVQWENHDKIC-CQSZACIVSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CCOCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339429221 350757718 /nfs/dbraw/zinc/75/77/18/350757718.db2.gz QHRKZRSRWHQEKU-AWEZNQCLSA-N 2 1 238.375 1.607 20 30 BDEDMP C=CCOCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339429221 350757721 /nfs/dbraw/zinc/75/77/21/350757721.db2.gz QHRKZRSRWHQEKU-AWEZNQCLSA-N 2 1 238.375 1.607 20 30 BDEDMP C=CCOCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339429221 350757724 /nfs/dbraw/zinc/75/77/24/350757724.db2.gz QHRKZRSRWHQEKU-AWEZNQCLSA-N 2 1 238.375 1.607 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336738714 352145803 /nfs/dbraw/zinc/14/58/03/352145803.db2.gz ONCOFSRPBGPSIE-NEPJUHHUSA-N 2 1 218.304 1.473 20 30 BDEDMP CC#CCN1CCC2(CCC[N@H+]2C)CC1 ZINC000334209917 352806835 /nfs/dbraw/zinc/80/68/35/352806835.db2.gz KUDOCXADKDHNBV-UHFFFAOYSA-N 2 1 206.333 1.570 20 30 BDEDMP N#Cc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000336322512 188255946 /nfs/dbraw/zinc/25/59/46/188255946.db2.gz PGIZUPOSJGRVMY-GJZGRUSLSA-N 2 1 241.338 1.600 20 30 BDEDMP N#Cc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000336322512 188255948 /nfs/dbraw/zinc/25/59/48/188255948.db2.gz PGIZUPOSJGRVMY-GJZGRUSLSA-N 2 1 241.338 1.600 20 30 BDEDMP C=C(C)COCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000090451307 188271967 /nfs/dbraw/zinc/27/19/67/188271967.db2.gz SBHZFQHGZNMYGU-MGPQQGTHSA-N 2 1 240.391 1.897 20 30 BDEDMP C=CCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000351905284 356179502 /nfs/dbraw/zinc/17/95/02/356179502.db2.gz TZMRUIJHZHYNCN-ZDUSSCGKSA-N 2 1 208.349 1.980 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCO[C@@H]2C)CC1 ZINC000121044623 134231259 /nfs/dbraw/zinc/23/12/59/134231259.db2.gz DBGJFHBJGJFWBG-TZMCWYRMSA-N 2 1 238.375 1.794 20 30 BDEDMP C=CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000111231399 358446403 /nfs/dbraw/zinc/44/64/03/358446403.db2.gz ZAJWFGMALRPAOG-AWEZNQCLSA-N 2 1 237.391 1.274 20 30 BDEDMP C=CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000111231399 358446406 /nfs/dbraw/zinc/44/64/06/358446406.db2.gz ZAJWFGMALRPAOG-AWEZNQCLSA-N 2 1 237.391 1.274 20 30 BDEDMP C=C(C)COCC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000090450860 360073377 /nfs/dbraw/zinc/07/33/77/360073377.db2.gz MKVMGIKYMDQYPD-ZIAGYGMSSA-N 2 1 240.391 1.899 20 30 BDEDMP C=CC(C)(C)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000629589791 361476263 /nfs/dbraw/zinc/47/62/63/361476263.db2.gz ZJXIALBZDMCCCZ-CYBMUJFWSA-N 2 1 240.391 1.633 20 30 BDEDMP C=CC(C)(C)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000629589791 361476269 /nfs/dbraw/zinc/47/62/69/361476269.db2.gz ZJXIALBZDMCCCZ-CYBMUJFWSA-N 2 1 240.391 1.633 20 30 BDEDMP C=CC[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000629650123 361546765 /nfs/dbraw/zinc/54/67/65/361546765.db2.gz OKHNSIHAKJQJBZ-QWHCGFSZSA-N 2 1 208.349 1.884 20 30 BDEDMP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000435736116 201286934 /nfs/dbraw/zinc/28/69/34/201286934.db2.gz UCUJBNOMQXQFKM-GXTWGEPZSA-N 2 1 238.375 1.651 20 30 BDEDMP N#CCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161329054 364692646 /nfs/dbraw/zinc/69/26/46/364692646.db2.gz AXIPCSOQIYNXIB-UHFFFAOYSA-N 2 1 230.315 1.507 20 30 BDEDMP C=CCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000573335445 364803524 /nfs/dbraw/zinc/80/35/24/364803524.db2.gz SZIQGBVYAWMTDZ-UHFFFAOYSA-N 2 1 226.364 1.387 20 30 BDEDMP C#CC[N@@H+](C)CCCNc1cc(C)[nH+]c(CC)n1 ZINC000292856687 364774331 /nfs/dbraw/zinc/77/43/31/364774331.db2.gz RSXJQECCTQRRIN-UHFFFAOYSA-N 2 1 246.358 1.714 20 30 BDEDMP C#CC[N@H+](C)CCCNc1cc(C)[nH+]c(CC)n1 ZINC000292856687 364774334 /nfs/dbraw/zinc/77/43/34/364774334.db2.gz RSXJQECCTQRRIN-UHFFFAOYSA-N 2 1 246.358 1.714 20 30 BDEDMP C=CCCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC ZINC000573455525 364837684 /nfs/dbraw/zinc/83/76/84/364837684.db2.gz XAEQWLWQCMTHEG-LBPRGKRZSA-N 2 1 214.353 1.197 20 30 BDEDMP C=CCCC[NH+](C)C[C@@H](O)C[N@H+](C)CC ZINC000573455525 364837690 /nfs/dbraw/zinc/83/76/90/364837690.db2.gz XAEQWLWQCMTHEG-LBPRGKRZSA-N 2 1 214.353 1.197 20 30 BDEDMP C=CCCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000573455525 364837693 /nfs/dbraw/zinc/83/76/93/364837693.db2.gz XAEQWLWQCMTHEG-LBPRGKRZSA-N 2 1 214.353 1.197 20 30 BDEDMP C=CCCC[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000573455525 364837696 /nfs/dbraw/zinc/83/76/96/364837696.db2.gz XAEQWLWQCMTHEG-LBPRGKRZSA-N 2 1 214.353 1.197 20 30 BDEDMP C[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CCC[NH2+]C1 ZINC000600769592 369561190 /nfs/dbraw/zinc/56/11/90/369561190.db2.gz PFALYPGDDSFPDE-GHMZBOCLSA-N 2 1 233.315 1.629 20 30 BDEDMP CC(C)([NH3+])C[NH+]1CCC(CCC#N)CC1 ZINC000569103333 326390274 /nfs/dbraw/zinc/39/02/74/326390274.db2.gz BVCWXPXKOHOWPX-UHFFFAOYSA-N 2 1 209.337 1.739 20 30 BDEDMP C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1C[NH3+] ZINC000163838298 372065924 /nfs/dbraw/zinc/06/59/24/372065924.db2.gz YRVKGAMPTRUOKN-DOMZBBRYSA-N 2 1 243.354 1.975 20 30 BDEDMP C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1C[NH3+] ZINC000163838298 372065929 /nfs/dbraw/zinc/06/59/29/372065929.db2.gz YRVKGAMPTRUOKN-DOMZBBRYSA-N 2 1 243.354 1.975 20 30 BDEDMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000235461979 384409285 /nfs/dbraw/zinc/40/92/85/384409285.db2.gz HCUXCGXEOZYIJL-NXEZZACHSA-N 2 1 203.289 1.556 20 30 BDEDMP C#CC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370577302 384417600 /nfs/dbraw/zinc/41/76/00/384417600.db2.gz FKQQCWWENNYXPY-HZSPNIEDSA-N 2 1 236.359 1.099 20 30 BDEDMP C#CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370577302 384417605 /nfs/dbraw/zinc/41/76/05/384417605.db2.gz FKQQCWWENNYXPY-HZSPNIEDSA-N 2 1 236.359 1.099 20 30 BDEDMP C#CC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000370577304 384418199 /nfs/dbraw/zinc/41/81/99/384418199.db2.gz FKQQCWWENNYXPY-MGPQQGTHSA-N 2 1 236.359 1.099 20 30 BDEDMP C#CC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000370577304 384418206 /nfs/dbraw/zinc/41/82/06/384418206.db2.gz FKQQCWWENNYXPY-MGPQQGTHSA-N 2 1 236.359 1.099 20 30 BDEDMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000309973706 384755566 /nfs/dbraw/zinc/75/55/66/384755566.db2.gz REBCERXJECLDBG-QWHCGFSZSA-N 2 1 219.332 1.530 20 30 BDEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000336679683 385623988 /nfs/dbraw/zinc/62/39/88/385623988.db2.gz AMVRDNPKANCJDV-RWMBFGLXSA-N 2 1 226.364 1.243 20 30 BDEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000336679683 385623993 /nfs/dbraw/zinc/62/39/93/385623993.db2.gz AMVRDNPKANCJDV-RWMBFGLXSA-N 2 1 226.364 1.243 20 30 BDEDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000414169157 386016624 /nfs/dbraw/zinc/01/66/24/386016624.db2.gz ROGSOVNGSJSGSC-NWDGAFQWSA-N 2 1 223.364 1.856 20 30 BDEDMP COc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1C#N ZINC000415004661 386284350 /nfs/dbraw/zinc/28/43/50/386284350.db2.gz AALPRNKNNXTWGV-NXEZZACHSA-N 2 1 233.315 1.392 20 30 BDEDMP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000393793435 386295177 /nfs/dbraw/zinc/29/51/77/386295177.db2.gz GNZJEQPRVOCEPG-YNEHKIRRSA-N 2 1 223.364 1.997 20 30 BDEDMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000393793435 386295183 /nfs/dbraw/zinc/29/51/83/386295183.db2.gz GNZJEQPRVOCEPG-YNEHKIRRSA-N 2 1 223.364 1.997 20 30 BDEDMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000393793435 386295188 /nfs/dbraw/zinc/29/51/88/386295188.db2.gz GNZJEQPRVOCEPG-YNEHKIRRSA-N 2 1 223.364 1.997 20 30 BDEDMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000393793435 386295192 /nfs/dbraw/zinc/29/51/92/386295192.db2.gz GNZJEQPRVOCEPG-YNEHKIRRSA-N 2 1 223.364 1.997 20 30 BDEDMP CC[N@@H+](CCN[C@@H]1CC[C@@H](C#N)C1)C(C)C ZINC000336773873 386327588 /nfs/dbraw/zinc/32/75/88/386327588.db2.gz WGYXVRIYBGOWIQ-CHWSQXEVSA-N 2 1 223.364 1.999 20 30 BDEDMP CC[N@H+](CC[NH2+][C@@H]1CC[C@@H](C#N)C1)C(C)C ZINC000336773873 386327591 /nfs/dbraw/zinc/32/75/91/386327591.db2.gz WGYXVRIYBGOWIQ-CHWSQXEVSA-N 2 1 223.364 1.999 20 30 BDEDMP CC[N@@H+](CC[NH2+][C@@H]1CC[C@@H](C#N)C1)C(C)C ZINC000336773873 386327595 /nfs/dbraw/zinc/32/75/95/386327595.db2.gz WGYXVRIYBGOWIQ-CHWSQXEVSA-N 2 1 223.364 1.999 20 30 BDEDMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185710828 386632532 /nfs/dbraw/zinc/63/25/32/386632532.db2.gz YNMUHHJVROYTRH-DGCLKSJQSA-N 2 1 221.348 1.753 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](OC)C2CC2)CC1 ZINC000638523769 386856923 /nfs/dbraw/zinc/85/69/23/386856923.db2.gz GWKWJMNENYBUIX-CQSZACIVSA-N 2 1 238.375 1.651 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1C ZINC000392791430 387288168 /nfs/dbraw/zinc/28/81/68/387288168.db2.gz MMJYZVKTFCLOTN-STQMWFEESA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1C ZINC000392791430 387288173 /nfs/dbraw/zinc/28/81/73/387288173.db2.gz MMJYZVKTFCLOTN-STQMWFEESA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000392846122 387294112 /nfs/dbraw/zinc/29/41/12/387294112.db2.gz UBLBKXNEHXSSRI-KGLIPLIRSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000392846122 387294116 /nfs/dbraw/zinc/29/41/16/387294116.db2.gz UBLBKXNEHXSSRI-KGLIPLIRSA-N 2 1 238.375 1.346 20 30 BDEDMP C=CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1CC1 ZINC000423526001 387356115 /nfs/dbraw/zinc/35/61/15/387356115.db2.gz UUFVDOLNACYUGY-KGLIPLIRSA-N 2 1 237.391 1.224 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000424170864 387861478 /nfs/dbraw/zinc/86/14/78/387861478.db2.gz JZXSPQGYZDZZQL-AAEUAGOBSA-N 2 1 224.348 1.261 20 30 BDEDMP C[N@@H+]1C[C@@H]2C[NH+](CC(C)(C)CCC#N)C[C@@H]2C1 ZINC000194543983 387893372 /nfs/dbraw/zinc/89/33/72/387893372.db2.gz USXFBWBHRRSHSZ-BETUJISGSA-N 2 1 235.375 1.810 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@@H+](CC(C)(C)CCC#N)C[C@@H]2C1 ZINC000194543983 387893375 /nfs/dbraw/zinc/89/33/75/387893375.db2.gz USXFBWBHRRSHSZ-BETUJISGSA-N 2 1 235.375 1.810 20 30 BDEDMP C#C[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000491524624 388301545 /nfs/dbraw/zinc/30/15/45/388301545.db2.gz NGUVZRPRXRDMRU-LLVKDONJSA-N 2 1 205.305 1.535 20 30 BDEDMP C#C[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000491524624 388301547 /nfs/dbraw/zinc/30/15/47/388301547.db2.gz NGUVZRPRXRDMRU-LLVKDONJSA-N 2 1 205.305 1.535 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C1CCOCC1 ZINC000491689136 388310961 /nfs/dbraw/zinc/31/09/61/388310961.db2.gz GRMFYXAAANSRIM-CYBMUJFWSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C1CCOCC1 ZINC000491689136 388310962 /nfs/dbraw/zinc/31/09/62/388310962.db2.gz GRMFYXAAANSRIM-CYBMUJFWSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000491749322 388317506 /nfs/dbraw/zinc/31/75/06/388317506.db2.gz QIBBVGKSJMQBEZ-PBWFPOADSA-N 2 1 236.359 1.193 20 30 BDEDMP C#CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000491749322 388317509 /nfs/dbraw/zinc/31/75/09/388317509.db2.gz QIBBVGKSJMQBEZ-PBWFPOADSA-N 2 1 236.359 1.193 20 30 BDEDMP C#CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000491749322 388317510 /nfs/dbraw/zinc/31/75/10/388317510.db2.gz QIBBVGKSJMQBEZ-PBWFPOADSA-N 2 1 236.359 1.193 20 30 BDEDMP C#CC[NH+](C)CCCN[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000491209521 388277084 /nfs/dbraw/zinc/27/70/84/388277084.db2.gz IHTAFXLZJTYRIN-ZFWWWQNUSA-N 2 1 249.402 1.014 20 30 BDEDMP C#CC[N@@H+](C)CCCN[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000491209521 388277086 /nfs/dbraw/zinc/27/70/86/388277086.db2.gz IHTAFXLZJTYRIN-ZFWWWQNUSA-N 2 1 249.402 1.014 20 30 BDEDMP C#CC[N@H+](C)CCCN[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000491209521 388277088 /nfs/dbraw/zinc/27/70/88/388277088.db2.gz IHTAFXLZJTYRIN-ZFWWWQNUSA-N 2 1 249.402 1.014 20 30 BDEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCC#N)[C@@H](C)C1 ZINC000245432892 388578333 /nfs/dbraw/zinc/57/83/33/388578333.db2.gz OWCKBMCTAHEEJW-STQMWFEESA-N 2 1 223.364 1.952 20 30 BDEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCC#N)[C@@H](C)C1 ZINC000245432892 388578335 /nfs/dbraw/zinc/57/83/35/388578335.db2.gz OWCKBMCTAHEEJW-STQMWFEESA-N 2 1 223.364 1.952 20 30 BDEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC#N)[C@@H](C)C1 ZINC000245432892 388578337 /nfs/dbraw/zinc/57/83/37/388578337.db2.gz OWCKBMCTAHEEJW-STQMWFEESA-N 2 1 223.364 1.952 20 30 BDEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC#N)[C@@H](C)C1 ZINC000245432891 388578530 /nfs/dbraw/zinc/57/85/30/388578530.db2.gz OWCKBMCTAHEEJW-QWHCGFSZSA-N 2 1 223.364 1.952 20 30 BDEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC#N)[C@@H](C)C1 ZINC000245432891 388578533 /nfs/dbraw/zinc/57/85/33/388578533.db2.gz OWCKBMCTAHEEJW-QWHCGFSZSA-N 2 1 223.364 1.952 20 30 BDEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC#N)[C@@H](C)C1 ZINC000245432891 388578534 /nfs/dbraw/zinc/57/85/34/388578534.db2.gz OWCKBMCTAHEEJW-QWHCGFSZSA-N 2 1 223.364 1.952 20 30 BDEDMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000423303158 388691676 /nfs/dbraw/zinc/69/16/76/388691676.db2.gz LBUWAZCGGAYGMS-VIFPVBQESA-N 2 1 233.290 1.567 20 30 BDEDMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000423473719 388692863 /nfs/dbraw/zinc/69/28/63/388692863.db2.gz QUROEWFNPDEPSV-ZWNOBZJWSA-N 2 1 217.316 1.946 20 30 BDEDMP C=CC[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000249420402 388720683 /nfs/dbraw/zinc/72/06/83/388720683.db2.gz HLSNXKBLSOCKJT-KBPBESRZSA-N 2 1 240.391 1.899 20 30 BDEDMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CC[C@H](C#N)C1 ZINC000339005590 135051416 /nfs/dbraw/zinc/05/14/16/135051416.db2.gz VDIGRHDFYFEGLH-MELADBBJSA-N 2 1 235.375 1.952 20 30 BDEDMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CC[C@H](C#N)C1 ZINC000339005590 135051418 /nfs/dbraw/zinc/05/14/18/135051418.db2.gz VDIGRHDFYFEGLH-MELADBBJSA-N 2 1 235.375 1.952 20 30 BDEDMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CC[C@H](C#N)C1 ZINC000339005590 135051421 /nfs/dbraw/zinc/05/14/21/135051421.db2.gz VDIGRHDFYFEGLH-MELADBBJSA-N 2 1 235.375 1.952 20 30 BDEDMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CC[C@H](C#N)C1 ZINC000339005590 135051423 /nfs/dbraw/zinc/05/14/23/135051423.db2.gz VDIGRHDFYFEGLH-MELADBBJSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@H]1[NH3+] ZINC000251552474 135071257 /nfs/dbraw/zinc/07/12/57/135071257.db2.gz BHPQYTVEJRIXQQ-SMDDNHRTSA-N 2 1 229.327 1.727 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1[NH3+] ZINC000251552474 135071258 /nfs/dbraw/zinc/07/12/58/135071258.db2.gz BHPQYTVEJRIXQQ-SMDDNHRTSA-N 2 1 229.327 1.727 20 30 BDEDMP C=C(Cl)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000262348953 135118036 /nfs/dbraw/zinc/11/80/36/135118036.db2.gz DUDIMYWPNCTNEA-SNVBAGLBSA-N 2 1 244.770 1.128 20 30 BDEDMP CC[N@@H+](C)Cc1cccc(CNC(NC)=[NH+]C)c1 ZINC000264130626 135135119 /nfs/dbraw/zinc/13/51/19/135135119.db2.gz XWJMSPYPXPWXAP-UHFFFAOYSA-N 2 1 248.374 1.433 20 30 BDEDMP C[NH2+]CCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000087472214 135142907 /nfs/dbraw/zinc/14/29/07/135142907.db2.gz LTUFHWQBYQXERV-UHFFFAOYSA-N 2 1 217.316 1.600 20 30 BDEDMP C[NH2+]CCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000087472214 135142909 /nfs/dbraw/zinc/14/29/09/135142909.db2.gz LTUFHWQBYQXERV-UHFFFAOYSA-N 2 1 217.316 1.600 20 30 BDEDMP C[NH+](C)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000260508425 135148583 /nfs/dbraw/zinc/14/85/83/135148583.db2.gz WCBOAACNYLPILS-AAEUAGOBSA-N 2 1 221.348 1.705 20 30 BDEDMP Cc1[nH+]ccn1CCNC(=[NH2+])NC1CCCCC1 ZINC000261580013 135220389 /nfs/dbraw/zinc/22/03/89/135220389.db2.gz PWENQXVSNABCOV-UHFFFAOYSA-N 2 1 249.362 1.429 20 30 BDEDMP [NH2+]=C(NC1CCCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262454257 135300602 /nfs/dbraw/zinc/30/06/02/135300602.db2.gz SNVHXGWVVSPUDX-LLVKDONJSA-N 2 1 247.346 1.045 20 30 BDEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC[NH3+] ZINC000335566746 136107859 /nfs/dbraw/zinc/10/78/59/136107859.db2.gz VHEXYQSNHFPCMQ-AWEZNQCLSA-N 2 1 229.327 1.874 20 30 BDEDMP C#C[C@@H](C)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000491656019 398055391 /nfs/dbraw/zinc/05/53/91/398055391.db2.gz CXULAWYMYLVYAX-CYBMUJFWSA-N 2 1 208.349 1.816 20 30 BDEDMP C#C[C@@H](C)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000491656019 398055395 /nfs/dbraw/zinc/05/53/95/398055395.db2.gz CXULAWYMYLVYAX-CYBMUJFWSA-N 2 1 208.349 1.816 20 30 BDEDMP C=CCOCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000643479481 398109418 /nfs/dbraw/zinc/10/94/18/398109418.db2.gz CWYAHBHSCRWNMG-HIFRSBDPSA-N 2 1 248.370 1.737 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]Cc2cccn2C)CC1 ZINC000172629881 166352946 /nfs/dbraw/zinc/35/29/46/166352946.db2.gz SBAAJWVKNHVVSS-UHFFFAOYSA-N 2 1 233.359 1.765 20 30 BDEDMP C=CCOCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661191 411375632 /nfs/dbraw/zinc/37/56/32/411375632.db2.gz BVKJDOZTCGSXNL-AWEZNQCLSA-N 2 1 238.375 1.607 20 30 BDEDMP C=CCOCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661191 411375636 /nfs/dbraw/zinc/37/56/36/411375636.db2.gz BVKJDOZTCGSXNL-AWEZNQCLSA-N 2 1 238.375 1.607 20 30 BDEDMP C=CCOCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661191 411375642 /nfs/dbraw/zinc/37/56/42/411375642.db2.gz BVKJDOZTCGSXNL-AWEZNQCLSA-N 2 1 238.375 1.607 20 30 BDEDMP C=CCOCCC[NH2+]C1CC[NH+](C)CC1 ZINC000657658430 411572320 /nfs/dbraw/zinc/57/23/20/411572320.db2.gz XTAXHVVLBAGBIQ-UHFFFAOYSA-N 2 1 212.337 1.263 20 30 BDEDMP C=C(C)[C@H](CO)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660658695 411614320 /nfs/dbraw/zinc/61/43/20/411614320.db2.gz GGPIZDNZZYHVGG-UONOGXRCSA-N 2 1 238.375 1.341 20 30 BDEDMP C=C(C)[C@H](CO)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660658695 411614322 /nfs/dbraw/zinc/61/43/22/411614322.db2.gz GGPIZDNZZYHVGG-UONOGXRCSA-N 2 1 238.375 1.341 20 30 BDEDMP C=C(C)[C@H](CO)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660658695 411614323 /nfs/dbraw/zinc/61/43/23/411614323.db2.gz GGPIZDNZZYHVGG-UONOGXRCSA-N 2 1 238.375 1.341 20 30 BDEDMP C=CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C(C)(C)C ZINC000661759189 411871766 /nfs/dbraw/zinc/87/17/66/411871766.db2.gz CWGNUHYJQJGOGI-LBPRGKRZSA-N 2 1 228.380 1.586 20 30 BDEDMP C=CC[NH+](C[C@@H](O)C[N@H+](C)CC)C(C)(C)C ZINC000661759189 411871768 /nfs/dbraw/zinc/87/17/68/411871768.db2.gz CWGNUHYJQJGOGI-LBPRGKRZSA-N 2 1 228.380 1.586 20 30 BDEDMP C=CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C(C)(C)C ZINC000661759189 411871772 /nfs/dbraw/zinc/87/17/72/411871772.db2.gz CWGNUHYJQJGOGI-LBPRGKRZSA-N 2 1 228.380 1.586 20 30 BDEDMP C=CC[N@H+](C[C@@H](O)C[NH+](C)CC)C(C)(C)C ZINC000661759189 411871774 /nfs/dbraw/zinc/87/17/74/411871774.db2.gz CWGNUHYJQJGOGI-LBPRGKRZSA-N 2 1 228.380 1.586 20 30 BDEDMP C=CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662278898 412071533 /nfs/dbraw/zinc/07/15/33/412071533.db2.gz CCBTVSBCUQGFNH-LBPRGKRZSA-N 2 1 222.332 1.158 20 30 BDEDMP C=CCCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322138 412100342 /nfs/dbraw/zinc/10/03/42/412100342.db2.gz URQKYMXDDVNRKX-AWEZNQCLSA-N 2 1 240.391 1.995 20 30 BDEDMP CC#CCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323246 412101244 /nfs/dbraw/zinc/10/12/44/412101244.db2.gz NBPSWTWWXLNGII-AWEZNQCLSA-N 2 1 238.375 1.442 20 30 BDEDMP C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000649330174 487734107 /nfs/dbraw/zinc/73/41/07/487734107.db2.gz SHCBBTMQDZHTIK-UONOGXRCSA-N 2 1 240.391 1.587 20 30 BDEDMP C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000649330174 487734108 /nfs/dbraw/zinc/73/41/08/487734108.db2.gz SHCBBTMQDZHTIK-UONOGXRCSA-N 2 1 240.391 1.587 20 30 BDEDMP C#CCC[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000760842291 585399214 /nfs/dbraw/zinc/39/92/14/585399214.db2.gz FWUXSOQQQQYPHT-ZDUSSCGKSA-N 2 1 208.349 1.673 20 30 BDEDMP CC#CC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245427697 323006237 /nfs/dbraw/zinc/00/62/37/323006237.db2.gz MBZFUNSLEBLHRZ-QWHCGFSZSA-N 2 1 208.349 1.672 20 30 BDEDMP CC#CC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245427697 323006238 /nfs/dbraw/zinc/00/62/38/323006238.db2.gz MBZFUNSLEBLHRZ-QWHCGFSZSA-N 2 1 208.349 1.672 20 30 BDEDMP CC#CC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000245427697 323006239 /nfs/dbraw/zinc/00/62/39/323006239.db2.gz MBZFUNSLEBLHRZ-QWHCGFSZSA-N 2 1 208.349 1.672 20 30 BDEDMP CC#CC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000245427697 323006240 /nfs/dbraw/zinc/00/62/40/323006240.db2.gz MBZFUNSLEBLHRZ-QWHCGFSZSA-N 2 1 208.349 1.672 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H](C)CC ZINC000328234436 324273240 /nfs/dbraw/zinc/27/32/40/324273240.db2.gz FFIVSWJDQDWLNM-CHWSQXEVSA-N 2 1 210.365 1.966 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H](C)CC ZINC000328234436 324273235 /nfs/dbraw/zinc/27/32/35/324273235.db2.gz FFIVSWJDQDWLNM-CHWSQXEVSA-N 2 1 210.365 1.966 20 30 BDEDMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000172196407 535945437 /nfs/dbraw/zinc/94/54/37/535945437.db2.gz DMLSGQIDARKHGG-HNNXBMFYSA-N 2 1 243.354 1.942 20 30 BDEDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000172196407 535945444 /nfs/dbraw/zinc/94/54/44/535945444.db2.gz DMLSGQIDARKHGG-HNNXBMFYSA-N 2 1 243.354 1.942 20 30 BDEDMP C=CCOCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000348047172 534874504 /nfs/dbraw/zinc/87/45/04/534874504.db2.gz FMUNPOVAGRXCES-UONOGXRCSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CCOCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000348047172 534874505 /nfs/dbraw/zinc/87/45/05/534874505.db2.gz FMUNPOVAGRXCES-UONOGXRCSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CCOCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000348047172 534874508 /nfs/dbraw/zinc/87/45/08/534874508.db2.gz FMUNPOVAGRXCES-UONOGXRCSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CCOCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000348047172 534874511 /nfs/dbraw/zinc/87/45/11/534874511.db2.gz FMUNPOVAGRXCES-UONOGXRCSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CCOCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000339020850 534879080 /nfs/dbraw/zinc/87/90/80/534879080.db2.gz IZSHNERLDOBNOO-UONOGXRCSA-N 2 1 238.375 1.605 20 30 BDEDMP C=CCOCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000339020850 534879082 /nfs/dbraw/zinc/87/90/82/534879082.db2.gz IZSHNERLDOBNOO-UONOGXRCSA-N 2 1 238.375 1.605 20 30 BDEDMP C=CCOCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000339020850 534879084 /nfs/dbraw/zinc/87/90/84/534879084.db2.gz IZSHNERLDOBNOO-UONOGXRCSA-N 2 1 238.375 1.605 20 30 BDEDMP C=CCC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400413832 527473581 /nfs/dbraw/zinc/47/35/81/527473581.db2.gz UTSDGQPHKXZYSG-TUAOUCFPSA-N 2 1 212.337 1.044 20 30 BDEDMP C=CCC[C@H](CO)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400413829 527473714 /nfs/dbraw/zinc/47/37/14/527473714.db2.gz UTSDGQPHKXZYSG-IJLUTSLNSA-N 2 1 212.337 1.044 20 30 BDEDMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=[NH2+])N1CCC1 ZINC000263041564 536349916 /nfs/dbraw/zinc/34/99/16/536349916.db2.gz CIXLRAURCJMBAL-NSHDSACASA-N 2 1 238.379 1.127 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC(C#N)CC1 ZINC000894863865 583535936 /nfs/dbraw/zinc/53/59/36/583535936.db2.gz YLBWJAAECYBQNI-UHFFFAOYSA-N 2 1 233.359 1.613 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC(C#N)CC1 ZINC000894863865 583535937 /nfs/dbraw/zinc/53/59/37/583535937.db2.gz YLBWJAAECYBQNI-UHFFFAOYSA-N 2 1 233.359 1.613 20 30 BDEDMP CCO[C@@H](C[NH2+]C[C@H](C)CCC#N)C[NH+](C)C ZINC000896880316 583845652 /nfs/dbraw/zinc/84/56/52/583845652.db2.gz UIWJVGKCSRHAHI-OLZOCXBDSA-N 2 1 241.379 1.483 20 30 BDEDMP N#C[C@H]1CC[C@@H]([NH2+]C[C@H]([NH3+])CC(F)F)C1 ZINC000903930287 584824532 /nfs/dbraw/zinc/82/45/32/584824532.db2.gz WLHLYFWHFLMTQL-DJLDLDEBSA-N 2 1 217.263 1.251 20 30 BDEDMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817979944 584994327 /nfs/dbraw/zinc/99/43/27/584994327.db2.gz QLVRARBVEOZSKX-AAEUAGOBSA-N 2 1 247.342 1.977 20 30 BDEDMP C#CCC[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000760842291 585399212 /nfs/dbraw/zinc/39/92/12/585399212.db2.gz FWUXSOQQQQYPHT-ZDUSSCGKSA-N 2 1 208.349 1.673 20 30 BDEDMP C#CCC[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000760842291 585399213 /nfs/dbraw/zinc/39/92/13/585399213.db2.gz FWUXSOQQQQYPHT-ZDUSSCGKSA-N 2 1 208.349 1.673 20 30 BDEDMP C#CCCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000799175414 586165193 /nfs/dbraw/zinc/16/51/93/586165193.db2.gz XWEUJAILGVSWOQ-UHFFFAOYSA-N 2 1 208.349 1.818 20 30 BDEDMP C#Cc1cccc(C[NH2+]C2CC[NH+](C)CC2)c1 ZINC000825227352 587310525 /nfs/dbraw/zinc/31/05/25/587310525.db2.gz SNOXZOAVRAPWNO-UHFFFAOYSA-N 2 1 228.339 1.852 20 30 BDEDMP C[N@@H+](Cc1ccncc1C#N)C1CCC([NH3+])CC1 ZINC000843354564 588103019 /nfs/dbraw/zinc/10/30/19/588103019.db2.gz CTJUSERPTXWBOS-UHFFFAOYSA-N 2 1 244.342 1.655 20 30 BDEDMP C#C[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000847021322 588302734 /nfs/dbraw/zinc/30/27/34/588302734.db2.gz JNAZGGLJHLUYEL-UONOGXRCSA-N 2 1 220.360 1.816 20 30 BDEDMP C#C[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000847021322 588302735 /nfs/dbraw/zinc/30/27/35/588302735.db2.gz JNAZGGLJHLUYEL-UONOGXRCSA-N 2 1 220.360 1.816 20 30 BDEDMP C#C[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000847021322 588302736 /nfs/dbraw/zinc/30/27/36/588302736.db2.gz JNAZGGLJHLUYEL-UONOGXRCSA-N 2 1 220.360 1.816 20 30 BDEDMP CC[N@@H+](CCNC(NC1CC1)=[NH+]C)C(C)C ZINC000849001041 588430847 /nfs/dbraw/zinc/43/08/47/588430847.db2.gz STMYGNOEHNKJFA-UHFFFAOYSA-N 2 1 226.368 1.044 20 30 BDEDMP C=CCNC(=[NH2+])NCC[N@@H+]1CCCC1(C)C ZINC000849039315 588446864 /nfs/dbraw/zinc/44/68/64/588446864.db2.gz SCGPMRFGJPLCJH-UHFFFAOYSA-N 2 1 224.352 1.161 20 30 BDEDMP CCNC(NCC[N@H+]1CCC[C@@H]1C)=[NH+]CC ZINC000849214545 588461459 /nfs/dbraw/zinc/46/14/59/588461459.db2.gz NUMFRGCXJBAFFC-NSHDSACASA-N 2 1 226.368 1.046 20 30 BDEDMP C#CCOCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000851813079 588632515 /nfs/dbraw/zinc/63/25/15/588632515.db2.gz PJYVUKYUJQJMJB-ZIAGYGMSSA-N 2 1 236.359 1.052 20 30 BDEDMP C#CCOCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000851813079 588632516 /nfs/dbraw/zinc/63/25/16/588632516.db2.gz PJYVUKYUJQJMJB-ZIAGYGMSSA-N 2 1 236.359 1.052 20 30 BDEDMP C#CC[C@@H](CCOC)[NH2+]C1CC[NH+](C)CC1 ZINC000862547373 589220200 /nfs/dbraw/zinc/22/02/00/589220200.db2.gz CXYDRVMZHGMLFR-LBPRGKRZSA-N 2 1 224.348 1.099 20 30 BDEDMP C[NH2+]CCC[N@@H+](C)CCc1cccc(C#N)c1 ZINC000866698244 589512996 /nfs/dbraw/zinc/51/29/96/589512996.db2.gz QDXDJGXARLZFSX-UHFFFAOYSA-N 2 1 231.343 1.642 20 30 BDEDMP C=CCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785827 589817836 /nfs/dbraw/zinc/81/78/36/589817836.db2.gz XLYYNEFCCGXTFT-YOGCLGLASA-N 2 1 237.347 1.934 20 30 BDEDMP C=CCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785827 589817837 /nfs/dbraw/zinc/81/78/37/589817837.db2.gz XLYYNEFCCGXTFT-YOGCLGLASA-N 2 1 237.347 1.934 20 30 BDEDMP C=CCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871786157 589818119 /nfs/dbraw/zinc/81/81/19/589818119.db2.gz SPDLJYIGVNPHBP-FGWVZKOKSA-N 2 1 223.320 1.544 20 30 BDEDMP C=CCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871786157 589818122 /nfs/dbraw/zinc/81/81/22/589818122.db2.gz SPDLJYIGVNPHBP-FGWVZKOKSA-N 2 1 223.320 1.544 20 30 BDEDMP C#CCCCCCC[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000877364703 590319495 /nfs/dbraw/zinc/31/94/95/590319495.db2.gz ZCEMDTZHVSPBHI-CQSZACIVSA-N 2 1 238.375 1.226 20 30 BDEDMP C#CCCCCCC[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000877364703 590319498 /nfs/dbraw/zinc/31/94/98/590319498.db2.gz ZCEMDTZHVSPBHI-CQSZACIVSA-N 2 1 238.375 1.226 20 30 BDEDMP C=C(C)CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579784 590817607 /nfs/dbraw/zinc/81/76/07/590817607.db2.gz AZSDEZDSVCOXQG-STQMWFEESA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(C)CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579784 590817610 /nfs/dbraw/zinc/81/76/10/590817610.db2.gz AZSDEZDSVCOXQG-STQMWFEESA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579784 590817611 /nfs/dbraw/zinc/81/76/11/590817611.db2.gz AZSDEZDSVCOXQG-STQMWFEESA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579784 590817613 /nfs/dbraw/zinc/81/76/13/590817613.db2.gz AZSDEZDSVCOXQG-STQMWFEESA-N 2 1 208.349 1.979 20 30 BDEDMP CC#CCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879583059 590821113 /nfs/dbraw/zinc/82/11/13/590821113.db2.gz VILXIYAAZYYLSK-CHWSQXEVSA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879583059 590821117 /nfs/dbraw/zinc/82/11/17/590821117.db2.gz VILXIYAAZYYLSK-CHWSQXEVSA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879583059 590821125 /nfs/dbraw/zinc/82/11/25/590821125.db2.gz VILXIYAAZYYLSK-CHWSQXEVSA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879583059 590821130 /nfs/dbraw/zinc/82/11/30/590821130.db2.gz VILXIYAAZYYLSK-CHWSQXEVSA-N 2 1 206.333 1.426 20 30 BDEDMP C=C(C)[C@H](CO)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474247 591054470 /nfs/dbraw/zinc/05/44/70/591054470.db2.gz WBBRJMMKALFMEQ-ZDUSSCGKSA-N 2 1 238.375 1.484 20 30 BDEDMP C#CC[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000886365293 592217019 /nfs/dbraw/zinc/21/70/19/592217019.db2.gz FMPKPWMWTVYCGU-KBPBESRZSA-N 2 1 238.375 1.033 20 30 BDEDMP C#CC[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000886365293 592217020 /nfs/dbraw/zinc/21/70/20/592217020.db2.gz FMPKPWMWTVYCGU-KBPBESRZSA-N 2 1 238.375 1.033 20 30 BDEDMP C#CC[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000886365293 592217021 /nfs/dbraw/zinc/21/70/21/592217021.db2.gz FMPKPWMWTVYCGU-KBPBESRZSA-N 2 1 238.375 1.033 20 30 BDEDMP C#CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887131079 592449768 /nfs/dbraw/zinc/44/97/68/592449768.db2.gz QQATXFFAWVJHDN-LBPRGKRZSA-N 2 1 215.300 1.225 20 30 BDEDMP C#CC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887131079 592449774 /nfs/dbraw/zinc/44/97/74/592449774.db2.gz QQATXFFAWVJHDN-LBPRGKRZSA-N 2 1 215.300 1.225 20 30 BDEDMP CCCNC(=[NH2+])NCC[N@H+]1CCC[C@@H](C)C1 ZINC000104168234 592602821 /nfs/dbraw/zinc/60/28/21/592602821.db2.gz DQGJTPGWIAYCBC-LLVKDONJSA-N 2 1 226.368 1.033 20 30 BDEDMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])NC(C)(C)C)C1 ZINC000104168239 592602861 /nfs/dbraw/zinc/60/28/61/592602861.db2.gz TZSCBJZAAWKFRN-LLVKDONJSA-N 2 1 240.395 1.421 20 30 BDEDMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000925714615 634431223 /nfs/dbraw/zinc/43/12/23/634431223.db2.gz SNHOYPAVERXKIP-WFASDCNBSA-N 2 1 243.354 1.831 20 30 BDEDMP C[N@H+]1CC[C@@H]2C[NH+](CC3(CC#N)CC3)C[C@@H]2C1 ZINC000310493886 632749420 /nfs/dbraw/zinc/74/94/20/632749420.db2.gz HXKGKDCDFDGYEY-OLZOCXBDSA-N 2 1 233.359 1.564 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@H+](CC3(CC#N)CC3)C[C@@H]2C1 ZINC000310493886 632749425 /nfs/dbraw/zinc/74/94/25/632749425.db2.gz HXKGKDCDFDGYEY-OLZOCXBDSA-N 2 1 233.359 1.564 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@@H+](CC3(CC#N)CC3)C[C@@H]2C1 ZINC000310493886 632749427 /nfs/dbraw/zinc/74/94/27/632749427.db2.gz HXKGKDCDFDGYEY-OLZOCXBDSA-N 2 1 233.359 1.564 20 30 BDEDMP C[N@@H+]1CCC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000051814375 636025627 /nfs/dbraw/zinc/02/56/27/636025627.db2.gz LXYCRRASJMZIAZ-INIZCTEOSA-N 2 1 242.366 1.970 20 30 BDEDMP C[N@H+]1CCC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000051814375 636025631 /nfs/dbraw/zinc/02/56/31/636025631.db2.gz LXYCRRASJMZIAZ-INIZCTEOSA-N 2 1 242.366 1.970 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000328180832 633737305 /nfs/dbraw/zinc/73/73/05/633737305.db2.gz NFWMCJJFJGPJSN-UHFFFAOYSA-N 2 1 241.338 1.603 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000328180832 633737315 /nfs/dbraw/zinc/73/73/15/633737315.db2.gz NFWMCJJFJGPJSN-UHFFFAOYSA-N 2 1 241.338 1.603 20 30 BDEDMP C=C(C)COCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925619195 634178038 /nfs/dbraw/zinc/17/80/38/634178038.db2.gz LJYKNSVTEOWGRA-ZDUSSCGKSA-N 2 1 238.375 1.843 20 30 BDEDMP C[NH+]1CCC(C[N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000259874356 635265355 /nfs/dbraw/zinc/26/53/55/635265355.db2.gz CVYQREZYWKFPSG-CYBMUJFWSA-N 2 1 235.375 1.954 20 30 BDEDMP C=CCOc1cccc(C[NH2+]CC2([NH3+])CC2)c1 ZINC000904448649 637412870 /nfs/dbraw/zinc/41/28/70/637412870.db2.gz BCHCJWIQJFIZKD-UHFFFAOYSA-N 2 1 232.327 1.832 20 30 BDEDMP C=C(C)COCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000163583886 639212511 /nfs/dbraw/zinc/21/25/11/639212511.db2.gz GCTDOBWIAGWDLB-AGUYFDCRSA-N 2 1 238.375 1.794 20 30 BDEDMP C#C[C@H]1CCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000934516099 641183373 /nfs/dbraw/zinc/18/33/73/641183373.db2.gz WEXUSMMIHZSRHV-ZDUSSCGKSA-N 2 1 231.343 1.840 20 30 BDEDMP C#C[C@H]1CCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000934516099 641183376 /nfs/dbraw/zinc/18/33/76/641183376.db2.gz WEXUSMMIHZSRHV-ZDUSSCGKSA-N 2 1 231.343 1.840 20 30 BDEDMP C=CCCC[NH+](CC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000934645596 641229672 /nfs/dbraw/zinc/22/96/72/641229672.db2.gz VAWQUIDYCSFOEZ-AWEZNQCLSA-N 2 1 242.407 1.976 20 30 BDEDMP C=CCCC[N@H+](CC)C[C@@H](O)C[NH+](C)C(C)C ZINC000934645596 641229656 /nfs/dbraw/zinc/22/96/56/641229656.db2.gz VAWQUIDYCSFOEZ-AWEZNQCLSA-N 2 1 242.407 1.976 20 30 BDEDMP C=CCCC[NH+](CC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000934645596 641229663 /nfs/dbraw/zinc/22/96/63/641229663.db2.gz VAWQUIDYCSFOEZ-AWEZNQCLSA-N 2 1 242.407 1.976 20 30 BDEDMP C=C(CC)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000313489331 641566208 /nfs/dbraw/zinc/56/62/08/641566208.db2.gz RRAGZUUYZJALHB-JZRPKSSGSA-N 2 1 206.333 1.539 20 30 BDEDMP NC(=[NH+]OCC[NH+]1CCCCC1)C1CCCC1 ZINC000190090445 641833749 /nfs/dbraw/zinc/83/37/49/641833749.db2.gz FFJJTSUWCDTLNR-UHFFFAOYSA-N 2 1 239.363 1.951 20 30 BDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC=C(C)C ZINC000191149847 641903566 /nfs/dbraw/zinc/90/35/66/641903566.db2.gz ALEHTJIQDSUNGH-LBPRGKRZSA-N 2 1 238.379 1.341 20 30 BDEDMP C[N@@H+]1CC=C(C[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921969472 643834612 /nfs/dbraw/zinc/83/46/12/643834612.db2.gz WWPHJQDLAMNJIN-UHFFFAOYSA-N 2 1 247.367 1.971 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000923349164 644362195 /nfs/dbraw/zinc/36/21/95/644362195.db2.gz PHHPWHAOZNJMRH-OLZOCXBDSA-N 2 1 226.364 1.374 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000923352830 644369437 /nfs/dbraw/zinc/36/94/37/644369437.db2.gz FUWJXMXTIIIZDY-OLZOCXBDSA-N 2 1 226.364 1.517 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000923389233 644402157 /nfs/dbraw/zinc/40/21/57/644402157.db2.gz NELSDFPYZOWBTQ-AGIUHOORSA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000923389233 644402161 /nfs/dbraw/zinc/40/21/61/644402161.db2.gz NELSDFPYZOWBTQ-AGIUHOORSA-N 2 1 226.364 1.373 20 30 BDEDMP CCCCNC(=[NH2+])NCC[N@H+]1CCCC[C@H]1C ZINC000303900882 644854350 /nfs/dbraw/zinc/85/43/50/644854350.db2.gz SKTDZDKMCQIMKL-GFCCVEGCSA-N 2 1 240.395 1.565 20 30 BDEDMP C#CC[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000847005265 645413990 /nfs/dbraw/zinc/41/39/90/645413990.db2.gz RDTQZZZAFDINMD-ZIAGYGMSSA-N 2 1 238.375 1.034 20 30 BDEDMP C#CC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000847005265 645413994 /nfs/dbraw/zinc/41/39/94/645413994.db2.gz RDTQZZZAFDINMD-ZIAGYGMSSA-N 2 1 238.375 1.034 20 30 BDEDMP C#CC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000847005265 645414000 /nfs/dbraw/zinc/41/40/00/645414000.db2.gz RDTQZZZAFDINMD-ZIAGYGMSSA-N 2 1 238.375 1.034 20 30 BDEDMP C#C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000300848635 645898609 /nfs/dbraw/zinc/89/86/09/645898609.db2.gz DYWRAAGNZAJBSG-MCIONIFRSA-N 2 1 220.360 1.861 20 30 BDEDMP C=C(C)C[C@H](CO)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000925772785 646473623 /nfs/dbraw/zinc/47/36/23/646473623.db2.gz UQNRHBFOCQTDAC-IJLUTSLNSA-N 2 1 212.337 1.044 20 30 BDEDMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000925815252 646491737 /nfs/dbraw/zinc/49/17/37/646491737.db2.gz VAQXGRFPAQGQAU-NXEZZACHSA-N 2 1 235.306 1.913 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C1[C@@H](C)CC[C@@H]1C ZINC000926490317 646661039 /nfs/dbraw/zinc/66/10/39/646661039.db2.gz NMYZSEPYIFEBCH-STQMWFEESA-N 2 1 222.376 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C1[C@@H](C)CC[C@@H]1C ZINC000926490317 646661040 /nfs/dbraw/zinc/66/10/40/646661040.db2.gz NMYZSEPYIFEBCH-STQMWFEESA-N 2 1 222.376 1.966 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000926490856 646661429 /nfs/dbraw/zinc/66/14/29/646661429.db2.gz RJNVKCCOQKVKFK-LBPRGKRZSA-N 2 1 247.342 1.393 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000926490856 646661442 /nfs/dbraw/zinc/66/14/42/646661442.db2.gz RJNVKCCOQKVKFK-LBPRGKRZSA-N 2 1 247.342 1.393 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC(C)(O)CC1 ZINC000703009693 712064607 /nfs/dbraw/zinc/06/46/07/712064607.db2.gz KEPUTRGEZTZFPT-UHFFFAOYSA-N 2 1 238.375 1.225 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC(C)(O)CC1 ZINC000703009693 712064608 /nfs/dbraw/zinc/06/46/08/712064608.db2.gz KEPUTRGEZTZFPT-UHFFFAOYSA-N 2 1 238.375 1.225 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926492003 711616262 /nfs/dbraw/zinc/61/62/62/711616262.db2.gz ZRRBKZAFYQXZCV-RRFJBIMHSA-N 2 1 232.371 1.886 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926492003 711616266 /nfs/dbraw/zinc/61/62/66/711616266.db2.gz ZRRBKZAFYQXZCV-RRFJBIMHSA-N 2 1 232.371 1.886 20 30 BDEDMP CCCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000303724658 711785586 /nfs/dbraw/zinc/78/55/86/711785586.db2.gz ZVRNVOSDLHXTAK-LLVKDONJSA-N 2 1 226.368 1.175 20 30 BDEDMP C=CCOCCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000700850092 712008391 /nfs/dbraw/zinc/00/83/91/712008391.db2.gz ZNCWZGZGHHIXQS-VXGBXAGGSA-N 2 1 212.337 1.309 20 30 BDEDMP C#CC[C@H](COC)[NH2+]C1CC[NH+](CC)CC1 ZINC000716931813 712596993 /nfs/dbraw/zinc/59/69/93/712596993.db2.gz AQVRNMJDCGPKOQ-CYBMUJFWSA-N 2 1 224.348 1.099 20 30 BDEDMP C=CC[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720869132 712872202 /nfs/dbraw/zinc/87/22/02/712872202.db2.gz CNOIGTJAARIPEO-JGVFFNPUSA-N 2 1 208.227 1.241 20 30 BDEDMP C=CC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720869132 712872203 /nfs/dbraw/zinc/87/22/03/712872203.db2.gz CNOIGTJAARIPEO-JGVFFNPUSA-N 2 1 208.227 1.241 20 30 BDEDMP C#C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](CC)CC)C1 ZINC001253187822 969106706 /nfs/dbraw/zinc/10/67/06/969106706.db2.gz JQFTWLHUHGDSHN-KGLIPLIRSA-N 2 1 238.375 1.034 20 30 BDEDMP C#C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](CC)CC)C1 ZINC001253187822 969106710 /nfs/dbraw/zinc/10/67/10/969106710.db2.gz JQFTWLHUHGDSHN-KGLIPLIRSA-N 2 1 238.375 1.034 20 30 BDEDMP C=CC[N@H+](C[C@@H](O)C[NH+](CC)CC)C(C)(C)C ZINC001253191540 969107208 /nfs/dbraw/zinc/10/72/08/969107208.db2.gz BPARLIBRNUTOSB-ZDUSSCGKSA-N 2 1 242.407 1.976 20 30 BDEDMP CC[NH+]1CCC(C[N@H+]2CC[C@H](C#N)C2)CC1 ZINC001208597530 969152362 /nfs/dbraw/zinc/15/23/62/969152362.db2.gz ISSGUPMQNPDBTP-CYBMUJFWSA-N 2 1 221.348 1.564 20 30 BDEDMP C#CCCC[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001209267460 969419256 /nfs/dbraw/zinc/41/92/56/969419256.db2.gz QZDUPAVLJZBHFL-UONOGXRCSA-N 2 1 236.359 1.052 20 30 BDEDMP C[C@H](CCCC#N)[NH2+]C1CC[NH+](C)CC1 ZINC001172477385 974775385 /nfs/dbraw/zinc/77/53/85/974775385.db2.gz YYFQDKFFABRCBZ-LLVKDONJSA-N 2 1 209.337 1.753 20 30 BDEDMP C=C[C@](C)(O)C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246029803 972122251 /nfs/dbraw/zinc/12/22/51/972122251.db2.gz LWVLPFSLWCEFPM-UPJWGTAASA-N 2 1 226.364 1.230 20 30 BDEDMP N#Cc1c2c(sc1N=C1CC[NH2+]C1)C[NH2+]CC2 ZINC001159159907 964006335 /nfs/dbraw/zinc/00/63/35/964006335.db2.gz UDRXMKHNJPZVCW-UHFFFAOYSA-N 2 1 246.339 1.164 20 30 BDEDMP C#CCNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001163366625 965370479 /nfs/dbraw/zinc/37/04/79/965370479.db2.gz CFFBYYMJCVVDND-UHFFFAOYSA-N 2 1 226.283 1.066 20 30 BDEDMP C=CCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205947065 967897818 /nfs/dbraw/zinc/89/78/18/967897818.db2.gz WPZMLTYEQCVEIF-CHWSQXEVSA-N 2 1 226.364 1.517 20 30 BDEDMP C=C[C@](C)(O)C[NH+]1CCC([NH+](CC)CC)CC1 ZINC001252554694 968797015 /nfs/dbraw/zinc/79/70/15/968797015.db2.gz JVADHQUTHDXPDX-AWEZNQCLSA-N 2 1 240.391 1.730 20 30 BDEDMP C=C[C@@](C)(O)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001252562484 968811326 /nfs/dbraw/zinc/81/13/26/968811326.db2.gz SOHQJOUTGKPATL-CYBMUJFWSA-N 2 1 224.348 1.094 20 30 BDEDMP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(S)CC1 ZINC001253187215 969093829 /nfs/dbraw/zinc/09/38/29/969093829.db2.gz CCWPGOHXFYQNSI-LLVKDONJSA-N 2 1 246.420 1.083 20 30 BDEDMP C#CC(CC)(CC)[NH2+]C[C@H](O)C[NH+](CC)CC ZINC001253173836 969094345 /nfs/dbraw/zinc/09/43/45/969094345.db2.gz HHGMMBMIWOODSB-ZDUSSCGKSA-N 2 1 240.391 1.471 20 30 BDEDMP C#C[C@H]1CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253394632 969154006 /nfs/dbraw/zinc/15/40/06/969154006.db2.gz OXSMYABGHIFGDU-QWHCGFSZSA-N 2 1 238.375 1.081 20 30 BDEDMP C#C[C@H]1CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253394632 969154012 /nfs/dbraw/zinc/15/40/12/969154012.db2.gz OXSMYABGHIFGDU-QWHCGFSZSA-N 2 1 238.375 1.081 20 30 BDEDMP C=C[C@H](O)C[N@@H+](CCC)CCC[NH+](C)C ZINC001253586147 969265374 /nfs/dbraw/zinc/26/53/74/969265374.db2.gz HHZNECGLRFYUAE-LBPRGKRZSA-N 2 1 214.353 1.197 20 30 BDEDMP C#CCCC[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001209267460 969419239 /nfs/dbraw/zinc/41/92/39/969419239.db2.gz QZDUPAVLJZBHFL-UONOGXRCSA-N 2 1 236.359 1.052 20 30 BDEDMP C#CCCC[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001209267460 969419245 /nfs/dbraw/zinc/41/92/45/969419245.db2.gz QZDUPAVLJZBHFL-UONOGXRCSA-N 2 1 236.359 1.052 20 30 BDEDMP C#CCCC[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001209267460 969419252 /nfs/dbraw/zinc/41/92/52/969419252.db2.gz QZDUPAVLJZBHFL-UONOGXRCSA-N 2 1 236.359 1.052 20 30 BDEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C#N)CC1)C2 ZINC001169126744 969432091 /nfs/dbraw/zinc/43/20/91/969432091.db2.gz XDUDZWNJZVPNOF-WDNDVIMCSA-N 2 1 233.359 1.847 20 30 BDEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C#N)CC1)C2 ZINC001169126744 969432097 /nfs/dbraw/zinc/43/20/97/969432097.db2.gz XDUDZWNJZVPNOF-WDNDVIMCSA-N 2 1 233.359 1.847 20 30 BDEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC(C)(C)S)C2 ZINC001169107439 969446686 /nfs/dbraw/zinc/44/66/86/969446686.db2.gz GTOJWVCIKXOEQZ-RTCCRHLQSA-N 2 1 228.405 1.910 20 30 BDEDMP CC[C@H](CC#N)n1c(C)c[nH+]c1CC[NH3+] ZINC001255152835 969951467 /nfs/dbraw/zinc/95/14/67/969951467.db2.gz DUKQOGPBBPGIBE-SNVBAGLBSA-N 2 1 206.293 1.558 20 30 BDEDMP C[C@@H](CCCC#N)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246544338 972615296 /nfs/dbraw/zinc/61/52/96/972615296.db2.gz XZPICDCYTSMRSR-RYUDHWBXSA-N 2 1 209.337 1.882 20 30 BDEDMP C[C@H](CCCC#N)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246567486 972818720 /nfs/dbraw/zinc/81/87/20/972818720.db2.gz JCVPZHPQIBZLLL-GRYCIOLGSA-N 2 1 227.327 1.830 20 30 BDEDMP C[C@H](CCCC#N)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246567486 972818725 /nfs/dbraw/zinc/81/87/25/972818725.db2.gz JCVPZHPQIBZLLL-GRYCIOLGSA-N 2 1 227.327 1.830 20 30 BDEDMP C[C@H](CCCC#N)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172478012 974776890 /nfs/dbraw/zinc/77/68/90/974776890.db2.gz AWIGXHLARFDRAF-NEPJUHHUSA-N 2 1 209.337 1.610 20 30 BDEDMP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001172491602 974836759 /nfs/dbraw/zinc/83/67/59/974836759.db2.gz OFAJQYALYBBWDE-XQQFMLRXSA-N 2 1 223.364 1.999 20 30 BDEDMP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001172491602 974836761 /nfs/dbraw/zinc/83/67/61/974836761.db2.gz OFAJQYALYBBWDE-XQQFMLRXSA-N 2 1 223.364 1.999 20 30 BDEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001172491597 974837389 /nfs/dbraw/zinc/83/73/89/974837389.db2.gz OFAJQYALYBBWDE-JHJVBQTASA-N 2 1 223.364 1.999 20 30 BDEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001172491597 974837392 /nfs/dbraw/zinc/83/73/92/974837392.db2.gz OFAJQYALYBBWDE-JHJVBQTASA-N 2 1 223.364 1.999 20 30 BDEDMP C[NH+]1CC[C@H]2C[N@H+](CCCCC#N)C[C@H]2CC1 ZINC001277949375 979057143 /nfs/dbraw/zinc/05/71/43/979057143.db2.gz WJCGUUNYVVSGDQ-OKILXGFUSA-N 2 1 235.375 1.954 20 30 BDEDMP C[N@@H+]1CC[C@H]2C[NH+](CCCCC#N)C[C@H]2CC1 ZINC001277949375 979057131 /nfs/dbraw/zinc/05/71/31/979057131.db2.gz WJCGUUNYVVSGDQ-OKILXGFUSA-N 2 1 235.375 1.954 20 30 BDEDMP C[NH+]1CC[C@H]2C[N@@H+](CCCCC#N)C[C@H]2CC1 ZINC001277949375 979057138 /nfs/dbraw/zinc/05/71/38/979057138.db2.gz WJCGUUNYVVSGDQ-OKILXGFUSA-N 2 1 235.375 1.954 20 30 BDEDMP C#CC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214140 983806691 /nfs/dbraw/zinc/80/66/91/983806691.db2.gz MMTGVGIOGLPUNJ-UHFFFAOYSA-N 2 1 216.328 1.813 20 30 BDEDMP C=C[C@@](C)(O)C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC001252575123 983829777 /nfs/dbraw/zinc/82/97/77/983829777.db2.gz VKAMSEDLWCJPJX-UONOGXRCSA-N 2 1 240.391 1.778 20 30 BDEDMP COCC#CC[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001578949669 985532823 /nfs/dbraw/zinc/53/28/23/985532823.db2.gz LLQMEQHBLVPNRT-AWEZNQCLSA-N 2 1 238.375 1.333 20 30 BDEDMP Cn1ncc(C[NH3+])c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001580002299 986398211 /nfs/dbraw/zinc/39/82/11/986398211.db2.gz MPYRANMZUVVBCG-LLVKDONJSA-N 2 1 247.346 1.004 20 30 BDEDMP Cn1ncc(C[NH3+])c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001580002299 986398222 /nfs/dbraw/zinc/39/82/22/986398222.db2.gz MPYRANMZUVVBCG-LLVKDONJSA-N 2 1 247.346 1.004 20 30 BDEDMP N#CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001580047807 986474602 /nfs/dbraw/zinc/47/46/02/986474602.db2.gz PDIPYHPWFSVQCR-QWHCGFSZSA-N 2 1 221.348 1.612 20 30 BDEDMP N#CCCCC[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001580051761 986475490 /nfs/dbraw/zinc/47/54/90/986475490.db2.gz QGZASNBFYDIABC-MRVPVSSYSA-N 2 1 223.242 1.550 20 30 BDEDMP C[N@@H+]1CCC[C@@H]([NH+]2CC(CC#N)C2)CC1 ZINC001254515780 986666728 /nfs/dbraw/zinc/66/67/28/986666728.db2.gz CTPUFBSGQOPPTG-GFCCVEGCSA-N 2 1 207.321 1.316 20 30 BDEDMP C[N@H+]1CCC[C@@H]([NH+]2CC(CC#N)C2)CC1 ZINC001254515780 986666735 /nfs/dbraw/zinc/66/67/35/986666735.db2.gz CTPUFBSGQOPPTG-GFCCVEGCSA-N 2 1 207.321 1.316 20 30 BDEDMP C=C[C@](C)(O)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246023743 987318311 /nfs/dbraw/zinc/31/83/11/987318311.db2.gz SQQGCBQQENCPPE-RYUDHWBXSA-N 2 1 230.327 1.076 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246034428 987337555 /nfs/dbraw/zinc/33/75/55/987337555.db2.gz NMIDSWHORKIUFK-QWHCGFSZSA-N 2 1 226.364 1.374 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246034426 987337884 /nfs/dbraw/zinc/33/78/84/987337884.db2.gz NMIDSWHORKIUFK-CHWSQXEVSA-N 2 1 226.364 1.374 20 30 BDEDMP C=CCC[C@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246153432 987510594 /nfs/dbraw/zinc/51/05/94/987510594.db2.gz RTZZGEBISJFILH-RYUDHWBXSA-N 2 1 242.363 1.601 20 30 BDEDMP C[C@@H]1CC[C@H]([NH2+]CCc2ccc(C#N)cc2)C[NH2+]1 ZINC001246192692 987581032 /nfs/dbraw/zinc/58/10/32/987581032.db2.gz XMYQTDFVXZZZLO-DOMZBBRYSA-N 2 1 243.354 1.831 20 30 BDEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)nc2)CC[NH2+]1 ZINC001246422398 987796138 /nfs/dbraw/zinc/79/61/38/987796138.db2.gz SUIYDPMDQFEXHO-PWSUYJOCSA-N 2 1 230.315 1.183 20 30 BDEDMP SCCCCCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246471590 987828474 /nfs/dbraw/zinc/82/84/74/987828474.db2.gz VEDAMKLGPVKQNF-LLVKDONJSA-N 2 1 216.394 1.818 20 30 BDEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CC(C)(C[NH3+])C1 ZINC001246587154 988149156 /nfs/dbraw/zinc/14/91/56/988149156.db2.gz FSRMKUFRXYKMQL-LBPRGKRZSA-N 2 1 243.354 1.770 20 30 BDEDMP N#Cc1ccc2c(c1)CC[N@H+](C1CC[NH2+]CC1)C2 ZINC001246591179 988164248 /nfs/dbraw/zinc/16/42/48/988164248.db2.gz MGOBUPUAUJDESY-UHFFFAOYSA-N 2 1 241.338 1.668 20 30 BDEDMP N#Cc1ccc2c(c1)CC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246591179 988164267 /nfs/dbraw/zinc/16/42/67/988164267.db2.gz MGOBUPUAUJDESY-UHFFFAOYSA-N 2 1 241.338 1.668 20 30 BDEDMP C=CC[NH+](CC=C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246815368 988501920 /nfs/dbraw/zinc/50/19/20/988501920.db2.gz YMNNAWJXUBOCFR-FUNVUKJBSA-N 2 1 206.333 1.943 20 30 BDEDMP C#C[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246837453 988539285 /nfs/dbraw/zinc/53/92/85/988539285.db2.gz UFRCBMAXSNIHFR-HABKJSAYSA-N 2 1 218.344 1.615 20 30 BDEDMP CC1(C#N)CCC([N@@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC001246918919 988729717 /nfs/dbraw/zinc/72/97/17/988729717.db2.gz YOQBTOCELWRNCK-OTTFEQOBSA-N 2 1 221.348 1.882 20 30 BDEDMP CC1(C#N)CCC([N@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC001246918919 988729743 /nfs/dbraw/zinc/72/97/43/988729743.db2.gz YOQBTOCELWRNCK-OTTFEQOBSA-N 2 1 221.348 1.882 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)C1 ZINC001247016810 988845399 /nfs/dbraw/zinc/84/53/99/988845399.db2.gz XZNDQTKQVBKDJH-RFGFWPKPSA-N 2 1 233.359 1.753 20 30 BDEDMP C=CCC[C@@H](C)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001258720526 991653122 /nfs/dbraw/zinc/65/31/22/991653122.db2.gz ANERTLGATMJTCE-OCCSQVGLSA-N 2 1 237.391 1.354 20 30 BDEDMP C#C[C@H](C)[N@@H+](C)Cc1cccc(C[NH3+])c1 ZINC001574459176 992862578 /nfs/dbraw/zinc/86/25/78/992862578.db2.gz ZAGFEWKVODOGMD-NSHDSACASA-N 2 1 202.301 1.599 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH2+]C ZINC001574901213 992941613 /nfs/dbraw/zinc/94/16/13/992941613.db2.gz BYABTVDVPUXVIQ-ZIAGYGMSSA-N 2 1 240.391 1.778 20 30 BDEDMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001576120360 993187614 /nfs/dbraw/zinc/18/76/14/993187614.db2.gz SWIUONSOOTTWCV-PWSUYJOCSA-N 2 1 230.315 1.122 20 30 BDEDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001576120360 993187618 /nfs/dbraw/zinc/18/76/18/993187618.db2.gz SWIUONSOOTTWCV-PWSUYJOCSA-N 2 1 230.315 1.122 20 30 BDEDMP CC[C@H](CC#N)[NH2+]CCC1([NH3+])CCOCC1 ZINC001577040736 993484371 /nfs/dbraw/zinc/48/43/71/993484371.db2.gz GQGYJBUCSXAIIT-LLVKDONJSA-N 2 1 225.336 1.166 20 30 BDEDMP C=CCC[C@@H](CC)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336731032 136218013 /nfs/dbraw/zinc/21/80/13/136218013.db2.gz IRNCNQACKSSGDL-OLZOCXBDSA-N 2 1 226.364 1.387 20 30 BDEDMP C=CCC[C@@H](CC)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336731032 136218014 /nfs/dbraw/zinc/21/80/14/136218014.db2.gz IRNCNQACKSSGDL-OLZOCXBDSA-N 2 1 226.364 1.387 20 30 BDEDMP C=CCOCC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000339011633 136279658 /nfs/dbraw/zinc/27/96/58/136279658.db2.gz BZAQORRKQBCYMH-CYBMUJFWSA-N 2 1 226.364 1.463 20 30 BDEDMP C=CCOCC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000339011633 136279659 /nfs/dbraw/zinc/27/96/59/136279659.db2.gz BZAQORRKQBCYMH-CYBMUJFWSA-N 2 1 226.364 1.463 20 30 BDEDMP C=CCOCC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000339011633 136279660 /nfs/dbraw/zinc/27/96/60/136279660.db2.gz BZAQORRKQBCYMH-CYBMUJFWSA-N 2 1 226.364 1.463 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000335751151 136352398 /nfs/dbraw/zinc/35/23/98/136352398.db2.gz GGWCZTQISIXYDZ-DGCLKSJQSA-N 2 1 233.359 1.895 20 30 BDEDMP Cc1cc(C#N)ccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000166165859 344754785 /nfs/dbraw/zinc/75/47/85/344754785.db2.gz SWKNKWIXOKLBCA-HUUCEWRRSA-N 2 1 241.338 1.518 20 30 BDEDMP CC#CCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158743176 345369473 /nfs/dbraw/zinc/36/94/73/345369473.db2.gz RJFFRSQSJKTLRN-OLZOCXBDSA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158743176 345369476 /nfs/dbraw/zinc/36/94/76/345369476.db2.gz RJFFRSQSJKTLRN-OLZOCXBDSA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158743176 345369479 /nfs/dbraw/zinc/36/94/79/345369479.db2.gz RJFFRSQSJKTLRN-OLZOCXBDSA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158743176 345369481 /nfs/dbraw/zinc/36/94/81/345369481.db2.gz RJFFRSQSJKTLRN-OLZOCXBDSA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158743176 345369485 /nfs/dbraw/zinc/36/94/85/345369485.db2.gz RJFFRSQSJKTLRN-OLZOCXBDSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCC=C ZINC000294921075 346319506 /nfs/dbraw/zinc/31/95/06/346319506.db2.gz GVHSMCNWEUXCJE-ZDUSSCGKSA-N 2 1 208.349 1.886 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCC=C ZINC000294921075 346319508 /nfs/dbraw/zinc/31/95/08/346319508.db2.gz GVHSMCNWEUXCJE-ZDUSSCGKSA-N 2 1 208.349 1.886 20 30 BDEDMP N#Cc1ccc(CC[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000595890227 348390139 /nfs/dbraw/zinc/39/01/39/348390139.db2.gz DJOFSPNIXFIBHQ-CQSZACIVSA-N 2 1 229.327 1.381 20 30 BDEDMP C[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]1 ZINC000596652588 348607338 /nfs/dbraw/zinc/60/73/38/348607338.db2.gz VCWBLUUMJOKTHC-WFASDCNBSA-N 2 1 243.354 1.831 20 30 BDEDMP C[N@@H+](CCC[NH3+])Cc1cccc(C#N)c1 ZINC000133727616 351597579 /nfs/dbraw/zinc/59/75/79/351597579.db2.gz LVGBVXBLBJBZGG-UHFFFAOYSA-N 2 1 203.289 1.339 20 30 BDEDMP C#CC[NH+](CC#C)CCCn1cc[nH+]c1C ZINC000270700861 188262772 /nfs/dbraw/zinc/26/27/72/188262772.db2.gz XXFJONYOEGZGBZ-UHFFFAOYSA-N 2 1 215.300 1.150 20 30 BDEDMP CC[N@H+]1CC[C@@H](N(C)CC2(C#N)CC2)[C@@H](C)C1 ZINC000343296477 353407213 /nfs/dbraw/zinc/40/72/13/353407213.db2.gz DGJXSAQJMGDJCD-QWHCGFSZSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(C#N)o1 ZINC000290639858 188389445 /nfs/dbraw/zinc/38/94/45/188389445.db2.gz YLGSSUPXCLGATL-FZMZJTMJSA-N 2 1 247.342 1.923 20 30 BDEDMP C=CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000334541161 353975587 /nfs/dbraw/zinc/97/55/87/353975587.db2.gz SVHSRCNZYQJNJW-OLZOCXBDSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000334541161 353975589 /nfs/dbraw/zinc/97/55/89/353975589.db2.gz SVHSRCNZYQJNJW-OLZOCXBDSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000334541161 353975591 /nfs/dbraw/zinc/97/55/91/353975591.db2.gz SVHSRCNZYQJNJW-OLZOCXBDSA-N 2 1 208.349 1.979 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000050245328 181105778 /nfs/dbraw/zinc/10/57/78/181105778.db2.gz ZCNVLBKOXCOUSH-ZDUSSCGKSA-N 2 1 215.300 1.339 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C1 ZINC000329518977 355926963 /nfs/dbraw/zinc/92/69/63/355926963.db2.gz NTKUEIPAXAWNBA-GMTAPVOTSA-N 2 1 230.315 1.549 20 30 BDEDMP C=CCCC[N@@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000639762809 356686937 /nfs/dbraw/zinc/68/69/37/356686937.db2.gz OODIPOGGRVECIB-CYBMUJFWSA-N 2 1 226.364 1.341 20 30 BDEDMP C=CCCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762809 356686941 /nfs/dbraw/zinc/68/69/41/356686941.db2.gz OODIPOGGRVECIB-CYBMUJFWSA-N 2 1 226.364 1.341 20 30 BDEDMP C=CCCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762809 356686943 /nfs/dbraw/zinc/68/69/43/356686943.db2.gz OODIPOGGRVECIB-CYBMUJFWSA-N 2 1 226.364 1.341 20 30 BDEDMP C=CCCCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765957 356696821 /nfs/dbraw/zinc/69/68/21/356696821.db2.gz KVCMDBBYECNFRW-CQSZACIVSA-N 2 1 240.391 1.731 20 30 BDEDMP C=CCC[C@@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000305082832 134239702 /nfs/dbraw/zinc/23/97/02/134239702.db2.gz MXJGEXBPJLYTAP-UONOGXRCSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000305082832 134239703 /nfs/dbraw/zinc/23/97/03/134239703.db2.gz MXJGEXBPJLYTAP-UONOGXRCSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000305082832 134239704 /nfs/dbraw/zinc/23/97/04/134239704.db2.gz MXJGEXBPJLYTAP-UONOGXRCSA-N 2 1 240.391 1.587 20 30 BDEDMP C=C(C)[C@H](CO)[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640017246 358080771 /nfs/dbraw/zinc/08/07/71/358080771.db2.gz JDMSKVVISVGFSW-ZDUSSCGKSA-N 2 1 240.391 1.730 20 30 BDEDMP CCNC(=[NH2+])NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000267440994 535423092 /nfs/dbraw/zinc/42/30/92/535423092.db2.gz PDANMYUDKCRCCA-GFCCVEGCSA-N 2 1 248.374 1.431 20 30 BDEDMP CCNC(=[NH2+])NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000267440994 535423095 /nfs/dbraw/zinc/42/30/95/535423095.db2.gz PDANMYUDKCRCCA-GFCCVEGCSA-N 2 1 248.374 1.431 20 30 BDEDMP C=CC[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000629500774 361101032 /nfs/dbraw/zinc/10/10/32/361101032.db2.gz XWYPICMLOUDCBO-GFCCVEGCSA-N 2 1 208.349 1.884 20 30 BDEDMP C=CC[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000629546501 361427251 /nfs/dbraw/zinc/42/72/51/361427251.db2.gz CZIBRLXVUTYXQM-CHWSQXEVSA-N 2 1 208.349 1.884 20 30 BDEDMP N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)o1 ZINC000600769278 369562612 /nfs/dbraw/zinc/56/26/12/369562612.db2.gz LDDZETLWCDWEBD-UWVGGRQHSA-N 2 1 219.288 1.511 20 30 BDEDMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000600768461 369563855 /nfs/dbraw/zinc/56/38/55/369563855.db2.gz GYIQEBPGFIMUSA-VHSXEESVSA-N 2 1 219.288 1.320 20 30 BDEDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000600768461 369563859 /nfs/dbraw/zinc/56/38/59/369563859.db2.gz GYIQEBPGFIMUSA-VHSXEESVSA-N 2 1 219.288 1.320 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C[NH3+] ZINC000602023543 369738536 /nfs/dbraw/zinc/73/85/36/369738536.db2.gz XRNDDBNHQKNEIS-BXUZGUMPSA-N 2 1 229.327 1.585 20 30 BDEDMP C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1C[NH3+] ZINC000163838405 372065772 /nfs/dbraw/zinc/06/57/72/372065772.db2.gz YRVKGAMPTRUOKN-WFASDCNBSA-N 2 1 243.354 1.975 20 30 BDEDMP C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1C[NH3+] ZINC000163838405 372065776 /nfs/dbraw/zinc/06/57/76/372065776.db2.gz YRVKGAMPTRUOKN-WFASDCNBSA-N 2 1 243.354 1.975 20 30 BDEDMP C[C@H]1C[C@@H]([NH2+]CCCCC#N)CC[N@H+]1C ZINC000156231226 385443061 /nfs/dbraw/zinc/44/30/61/385443061.db2.gz LIWALUVNSIVAMF-RYUDHWBXSA-N 2 1 209.337 1.753 20 30 BDEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170905401 385454681 /nfs/dbraw/zinc/45/46/81/385454681.db2.gz NLHVNYAUWQIVBH-NSHDSACASA-N 2 1 247.346 1.150 20 30 BDEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000336679684 385623687 /nfs/dbraw/zinc/62/36/87/385623687.db2.gz AMVRDNPKANCJDV-XQQFMLRXSA-N 2 1 226.364 1.243 20 30 BDEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000336679684 385623692 /nfs/dbraw/zinc/62/36/92/385623692.db2.gz AMVRDNPKANCJDV-XQQFMLRXSA-N 2 1 226.364 1.243 20 30 BDEDMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336777529 386424601 /nfs/dbraw/zinc/42/46/01/386424601.db2.gz ITCYAWAASSBRCM-UPJWGTAASA-N 2 1 223.364 1.999 20 30 BDEDMP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232654324 386565347 /nfs/dbraw/zinc/56/53/47/386565347.db2.gz ZFYFGSCXJSLOAH-UHFFFAOYSA-N 2 1 248.374 1.717 20 30 BDEDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232654324 386565354 /nfs/dbraw/zinc/56/53/54/386565354.db2.gz ZFYFGSCXJSLOAH-UHFFFAOYSA-N 2 1 248.374 1.717 20 30 BDEDMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232314994 386676270 /nfs/dbraw/zinc/67/62/70/386676270.db2.gz WQKONPQVAYPDEY-NSHDSACASA-N 2 1 234.347 1.327 20 30 BDEDMP C=CCOCC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000645083306 386709284 /nfs/dbraw/zinc/70/92/84/386709284.db2.gz KYDZEZZDYIFZLC-ZDUSSCGKSA-N 2 1 235.331 1.723 20 30 BDEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000229604935 387187550 /nfs/dbraw/zinc/18/75/50/387187550.db2.gz FOKZKBBPXHVTEY-NEPJUHHUSA-N 2 1 221.348 1.610 20 30 BDEDMP Cc1cc(N[C@@H]2CC[N@H+](C(C)C)C2)c(C#N)cn1 ZINC000399475192 387139308 /nfs/dbraw/zinc/13/93/08/387139308.db2.gz XAZMODYKIFEAQX-CYBMUJFWSA-N 2 1 244.342 1.578 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000392846125 387293064 /nfs/dbraw/zinc/29/30/64/387293064.db2.gz UBLBKXNEHXSSRI-ZIAGYGMSSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000392846125 387293072 /nfs/dbraw/zinc/29/30/72/387293072.db2.gz UBLBKXNEHXSSRI-ZIAGYGMSSA-N 2 1 238.375 1.346 20 30 BDEDMP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000442709472 387826948 /nfs/dbraw/zinc/82/69/48/387826948.db2.gz OECMMFCGXBHLJD-UPJWGTAASA-N 2 1 233.359 1.753 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C(C1CC1)C1CC1 ZINC000328108361 387873706 /nfs/dbraw/zinc/87/37/06/387873706.db2.gz NHWWXALARGAHSS-UHFFFAOYSA-N 2 1 220.360 1.720 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C(C1CC1)C1CC1 ZINC000328108361 387873710 /nfs/dbraw/zinc/87/37/10/387873710.db2.gz NHWWXALARGAHSS-UHFFFAOYSA-N 2 1 220.360 1.720 20 30 BDEDMP C=CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423080774 387875870 /nfs/dbraw/zinc/87/58/70/387875870.db2.gz ALNYQKOHPDCIAH-MGPQQGTHSA-N 2 1 238.375 1.699 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC12CCC2 ZINC000393214173 387877096 /nfs/dbraw/zinc/87/70/96/387877096.db2.gz KNPUWFAKHXWZHU-ZDUSSCGKSA-N 2 1 220.360 1.864 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC12CCC2 ZINC000393214173 387877097 /nfs/dbraw/zinc/87/70/97/387877097.db2.gz KNPUWFAKHXWZHU-ZDUSSCGKSA-N 2 1 220.360 1.864 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000320983631 387884202 /nfs/dbraw/zinc/88/42/02/387884202.db2.gz ACVFWACVCCRMJE-JHJVBQTASA-N 2 1 208.349 1.576 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000320983631 387884206 /nfs/dbraw/zinc/88/42/06/387884206.db2.gz ACVFWACVCCRMJE-JHJVBQTASA-N 2 1 208.349 1.576 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000449546584 388228932 /nfs/dbraw/zinc/22/89/32/388228932.db2.gz CLIWJAQMORBSPI-KGLIPLIRSA-N 2 1 238.375 1.794 20 30 BDEDMP C#CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185719998 388590414 /nfs/dbraw/zinc/59/04/14/388590414.db2.gz KEWRDKDNNXRDPS-STQMWFEESA-N 2 1 220.360 1.862 20 30 BDEDMP C[N@H+](Cc1ccc(C#N)o1)CC1CC[NH+](C)CC1 ZINC000093088875 388739757 /nfs/dbraw/zinc/73/97/57/388739757.db2.gz BFSYOBBVEKGEQV-UHFFFAOYSA-N 2 1 247.342 1.925 20 30 BDEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C[NH3+])C1CC1)CC2 ZINC000423284170 388690304 /nfs/dbraw/zinc/69/03/04/388690304.db2.gz WLNQMVDYLPUVFH-LSDHHAIUSA-N 2 1 241.338 1.872 20 30 BDEDMP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(C#N)cc1 ZINC000423381899 388690598 /nfs/dbraw/zinc/69/05/98/388690598.db2.gz DCRPPNSAGAODBJ-GWCFXTLKSA-N 2 1 217.316 1.946 20 30 BDEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)CC2 ZINC000423336695 388690718 /nfs/dbraw/zinc/69/07/18/388690718.db2.gz XZKKIIWBJUODFN-CABCVRRESA-N 2 1 241.338 1.872 20 30 BDEDMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(C#N)c1 ZINC000423314632 388691476 /nfs/dbraw/zinc/69/14/76/388691476.db2.gz HLOMVPCWKHOBMZ-QMTHXVAHSA-N 2 1 229.327 1.946 20 30 BDEDMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(C#N)c1 ZINC000423442684 388692362 /nfs/dbraw/zinc/69/23/62/388692362.db2.gz VFVOOZOCASWTHI-QQUHWDOBSA-N 2 1 227.311 1.427 20 30 BDEDMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000423482948 388692911 /nfs/dbraw/zinc/69/29/11/388692911.db2.gz XMQXHPKJTKCRDN-TZMCWYRMSA-N 2 1 229.327 1.872 20 30 BDEDMP C[NH+](C)[C@@H]1CCC[N@H+](CCCC#N)CC1 ZINC000372988461 134233338 /nfs/dbraw/zinc/23/33/38/134233338.db2.gz DDOUIKMBZGSVSE-GFCCVEGCSA-N 2 1 209.337 1.706 20 30 BDEDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCC#N)CC1 ZINC000372988461 134233339 /nfs/dbraw/zinc/23/33/39/134233339.db2.gz DDOUIKMBZGSVSE-GFCCVEGCSA-N 2 1 209.337 1.706 20 30 BDEDMP C=CC[N@H+](CCOC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000234687445 134384999 /nfs/dbraw/zinc/38/49/99/134384999.db2.gz SHBJAAYBJHZGEJ-STQMWFEESA-N 2 1 226.364 1.509 20 30 BDEDMP C=CCC[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000338549524 135038986 /nfs/dbraw/zinc/03/89/86/135038986.db2.gz SAEXIIPXYTVLNQ-CQSZACIVSA-N 2 1 240.391 1.995 20 30 BDEDMP Cc1[nH+]ccn1CCCNC(=[NH2+])NC1CCCC1 ZINC000264090679 135132605 /nfs/dbraw/zinc/13/26/05/135132605.db2.gz KWHRMCHAMWAWHK-UHFFFAOYSA-N 2 1 249.362 1.429 20 30 BDEDMP C[N@H+](Cc1cccc(C#N)c1)C1CC([NH3+])C1 ZINC000087653501 135160962 /nfs/dbraw/zinc/16/09/62/135160962.db2.gz XZOCOUYABJCWQQ-UHFFFAOYSA-N 2 1 215.300 1.480 20 30 BDEDMP C[N@@H+](Cc1cccc(C#N)c1)C1CC([NH3+])C1 ZINC000087653501 135160963 /nfs/dbraw/zinc/16/09/63/135160963.db2.gz XZOCOUYABJCWQQ-UHFFFAOYSA-N 2 1 215.300 1.480 20 30 BDEDMP C=CCOCCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000348035498 136028342 /nfs/dbraw/zinc/02/83/42/136028342.db2.gz OVSTWEURLDGKMX-AWEZNQCLSA-N 2 1 240.391 1.853 20 30 BDEDMP C=CCOCCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000348035498 136028343 /nfs/dbraw/zinc/02/83/43/136028343.db2.gz OVSTWEURLDGKMX-AWEZNQCLSA-N 2 1 240.391 1.853 20 30 BDEDMP C=CCOCCC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000348035498 136028344 /nfs/dbraw/zinc/02/83/44/136028344.db2.gz OVSTWEURLDGKMX-AWEZNQCLSA-N 2 1 240.391 1.853 20 30 BDEDMP C=CCOCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000643479482 398109226 /nfs/dbraw/zinc/10/92/26/398109226.db2.gz CWYAHBHSCRWNMG-UKRRQHHQSA-N 2 1 248.370 1.737 20 30 BDEDMP C=CC[N@H+](CCOC)CC[C@H]1CCCC[NH+]1C ZINC000362050797 166341810 /nfs/dbraw/zinc/34/18/10/166341810.db2.gz TYLQVJNZLVGIRQ-CQSZACIVSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CC[N@@H+](CCOC)CC[C@H]1CCCC[NH+]1C ZINC000362050797 166341815 /nfs/dbraw/zinc/34/18/15/166341815.db2.gz TYLQVJNZLVGIRQ-CQSZACIVSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CC[NH+](CCOC)CC[C@H]1CCCC[N@@H+]1C ZINC000362050797 166341817 /nfs/dbraw/zinc/34/18/17/166341817.db2.gz TYLQVJNZLVGIRQ-CQSZACIVSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CC[NH+](CCOC)CC[C@H]1CCCC[N@H+]1C ZINC000362050797 166341822 /nfs/dbraw/zinc/34/18/22/166341822.db2.gz TYLQVJNZLVGIRQ-CQSZACIVSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CCC[N@@H+](C)CCCc1c[nH+]cn1C ZINC000653635877 411154020 /nfs/dbraw/zinc/15/40/20/411154020.db2.gz GZUFTOLLLUHPQQ-UHFFFAOYSA-N 2 1 207.321 1.861 20 30 BDEDMP C=CCC[N@H+](C)CCCc1c[nH+]cn1C ZINC000653635877 411154023 /nfs/dbraw/zinc/15/40/23/411154023.db2.gz GZUFTOLLLUHPQQ-UHFFFAOYSA-N 2 1 207.321 1.861 20 30 BDEDMP C=C(CC)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655773780 411255033 /nfs/dbraw/zinc/25/50/33/411255033.db2.gz HTPUCKJLYGHAKB-AWEZNQCLSA-N 2 1 238.375 1.796 20 30 BDEDMP C=CCOCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657659215 411572375 /nfs/dbraw/zinc/57/23/75/411572375.db2.gz RMQVGXOJFXASKO-KGLIPLIRSA-N 2 1 238.375 1.796 20 30 BDEDMP C=CC[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H](C)COC ZINC000662298945 412085651 /nfs/dbraw/zinc/08/56/51/412085651.db2.gz HQMVJZKMAZTFPD-QWHCGFSZSA-N 2 1 226.364 1.509 20 30 BDEDMP C=CC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H](C)COC ZINC000662299651 412086879 /nfs/dbraw/zinc/08/68/79/412086879.db2.gz TYTRZGPBBLHYFL-KGLIPLIRSA-N 2 1 240.391 1.899 20 30 BDEDMP C=C(CC)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325294 412103216 /nfs/dbraw/zinc/10/32/16/412103216.db2.gz LCIHGRLMJHJHEV-AWEZNQCLSA-N 2 1 240.391 1.995 20 30 BDEDMP COCC#CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000677478555 488048386 /nfs/dbraw/zinc/04/83/86/488048386.db2.gz ALGJLQFSVGHQIK-UHFFFAOYSA-N 2 1 233.315 1.239 20 30 BDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(C)CC1 ZINC000262462493 535549932 /nfs/dbraw/zinc/54/99/32/535549932.db2.gz MTPHUVPYBAIVLN-LLVKDONJSA-N 2 1 238.379 1.175 20 30 BDEDMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309611593 535590776 /nfs/dbraw/zinc/59/07/76/535590776.db2.gz BMIIXOIJBOYMMD-RWMBFGLXSA-N 2 1 223.364 1.999 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000341888592 534403170 /nfs/dbraw/zinc/40/31/70/534403170.db2.gz QBHSTLOZGCGRJX-RDBSUJKOSA-N 2 1 240.391 1.491 20 30 BDEDMP C=CCCC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000367025714 534719892 /nfs/dbraw/zinc/71/98/92/534719892.db2.gz DKXACENWNBRSCB-OLZOCXBDSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCCC[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000367025714 534719898 /nfs/dbraw/zinc/71/98/98/534719898.db2.gz DKXACENWNBRSCB-OLZOCXBDSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCCC[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000367025714 534719903 /nfs/dbraw/zinc/71/99/03/534719903.db2.gz DKXACENWNBRSCB-OLZOCXBDSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCCC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000367025714 534719910 /nfs/dbraw/zinc/71/99/10/534719910.db2.gz DKXACENWNBRSCB-OLZOCXBDSA-N 2 1 208.349 1.979 20 30 BDEDMP C[NH+]1CCC2(CCC[N@@H+](CCC#N)C2)CC1 ZINC000367199392 536347049 /nfs/dbraw/zinc/34/70/49/536347049.db2.gz JNNBEGGWSOUUCT-UHFFFAOYSA-N 2 1 221.348 1.708 20 30 BDEDMP C[NH+]=C(NCCCC[N@@H+](C)C1CC1)NC1CC1 ZINC000849039924 582838268 /nfs/dbraw/zinc/83/82/68/582838268.db2.gz YRCANKSUHZIEEG-UHFFFAOYSA-N 2 1 238.379 1.188 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H]1SC ZINC000894863841 583536051 /nfs/dbraw/zinc/53/60/51/583536051.db2.gz WJHGYTKQJJJCMY-RYUDHWBXSA-N 2 1 226.389 1.425 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H]1SC ZINC000894863841 583536052 /nfs/dbraw/zinc/53/60/52/583536052.db2.gz WJHGYTKQJJJCMY-RYUDHWBXSA-N 2 1 226.389 1.425 20 30 BDEDMP C#CC[NH+]1CCC(Nc2cc[nH+]cc2Cl)CC1 ZINC000895809498 583730273 /nfs/dbraw/zinc/73/02/73/583730273.db2.gz XQNXFJFGVDOESI-UHFFFAOYSA-N 2 1 249.745 1.666 20 30 BDEDMP C#CC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858335393 588943920 /nfs/dbraw/zinc/94/39/20/588943920.db2.gz YTCYAGMGXQQAQS-CHWSQXEVSA-N 2 1 238.375 1.487 20 30 BDEDMP C[C@H]([NH2+]CC1([NH3+])CC1)c1cccc(C#N)c1 ZINC000902412787 584581219 /nfs/dbraw/zinc/58/12/19/584581219.db2.gz DXMVGKOZRMEYRE-JTQLQIEISA-N 2 1 215.300 1.700 20 30 BDEDMP N#C[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000903563699 584782265 /nfs/dbraw/zinc/78/22/65/584782265.db2.gz JSBSBSGAWQJEBS-NEPJUHHUSA-N 2 1 207.321 1.222 20 30 BDEDMP C#CCCC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000766917395 585511603 /nfs/dbraw/zinc/51/16/03/585511603.db2.gz HERHSQMFIRMKCL-HNNXBMFYSA-N 2 1 249.402 1.112 20 30 BDEDMP C#C[C@@H](C)[NH+](C)C/C=C/C[N@H+](C)[C@@H](C)C#C ZINC000769963540 585567975 /nfs/dbraw/zinc/56/79/75/585567975.db2.gz WARNIEGWYSMJLH-BTUFVMOBSA-N 2 1 218.344 1.450 20 30 BDEDMP C#C[C@@H](C)[N@@H+](C)C/C=C/C[NH+](C)[C@@H](C)C#C ZINC000769963540 585567976 /nfs/dbraw/zinc/56/79/76/585567976.db2.gz WARNIEGWYSMJLH-BTUFVMOBSA-N 2 1 218.344 1.450 20 30 BDEDMP C#C[C@@H](C)[N@H+](C)C/C=C/C[NH+](C)[C@@H](C)C#C ZINC000769963540 585567977 /nfs/dbraw/zinc/56/79/77/585567977.db2.gz WARNIEGWYSMJLH-BTUFVMOBSA-N 2 1 218.344 1.450 20 30 BDEDMP C#C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCCO1 ZINC000775792697 585685199 /nfs/dbraw/zinc/68/51/99/585685199.db2.gz IIXIZILYPPCWDK-IHRRRGAJSA-N 2 1 236.359 1.241 20 30 BDEDMP C#C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCO1 ZINC000775792697 585685200 /nfs/dbraw/zinc/68/52/00/585685200.db2.gz IIXIZILYPPCWDK-IHRRRGAJSA-N 2 1 236.359 1.241 20 30 BDEDMP C[C@H](CC#N)N[NH+]=Cc1cnccc1N(C)C ZINC000776188057 585691163 /nfs/dbraw/zinc/69/11/63/585691163.db2.gz UKNRHYMLTSHJKY-SNVBAGLBSA-N 2 1 231.303 1.373 20 30 BDEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C(C)C)C1)NC1CC1 ZINC000848996245 588429178 /nfs/dbraw/zinc/42/91/78/588429178.db2.gz MWVXLLJEFVFVNF-NSHDSACASA-N 2 1 238.379 1.044 20 30 BDEDMP C=C(CC)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000849038191 588446360 /nfs/dbraw/zinc/44/63/60/588446360.db2.gz KTBHMKUTCLGEDO-GFCCVEGCSA-N 2 1 238.379 1.551 20 30 BDEDMP CC(C)C[N@@H+](C)CCCNC1=[NH+]CCCN1C ZINC000849047505 588450594 /nfs/dbraw/zinc/45/05/94/588450594.db2.gz ZEDDNOUJUVKWOM-UHFFFAOYSA-N 2 1 240.395 1.245 20 30 BDEDMP C#CCOCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000851780851 588627379 /nfs/dbraw/zinc/62/73/79/588627379.db2.gz LRDCIZKLTYBTQX-AWEZNQCLSA-N 2 1 236.359 1.054 20 30 BDEDMP C#CCOCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000851780851 588627380 /nfs/dbraw/zinc/62/73/80/588627380.db2.gz LRDCIZKLTYBTQX-AWEZNQCLSA-N 2 1 236.359 1.054 20 30 BDEDMP C#CCSCC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000119100574 589242332 /nfs/dbraw/zinc/24/23/32/589242332.db2.gz UXOWSGQBGWNRRL-OLZOCXBDSA-N 2 1 240.416 1.673 20 30 BDEDMP C#C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000872140802 589881587 /nfs/dbraw/zinc/88/15/87/589881587.db2.gz ZFBDJHSOFRLJJO-JOCQHMNTSA-N 2 1 220.360 1.862 20 30 BDEDMP C[N@H+](CCCCCC[NH3+])Cc1ccncc1C#N ZINC000872155158 589886335 /nfs/dbraw/zinc/88/63/35/589886335.db2.gz DXOXGKMERKLUQN-UHFFFAOYSA-N 2 1 246.358 1.904 20 30 BDEDMP C[N@@H+](CCCCCC[NH3+])Cc1ccncc1C#N ZINC000872155158 589886337 /nfs/dbraw/zinc/88/63/37/589886337.db2.gz DXOXGKMERKLUQN-UHFFFAOYSA-N 2 1 246.358 1.904 20 30 BDEDMP C=CCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879574286 590813525 /nfs/dbraw/zinc/81/35/25/590813525.db2.gz YZSWWTDFMJZRDL-QWHCGFSZSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879574286 590813527 /nfs/dbraw/zinc/81/35/27/590813527.db2.gz YZSWWTDFMJZRDL-QWHCGFSZSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879574286 590813529 /nfs/dbraw/zinc/81/35/29/590813529.db2.gz YZSWWTDFMJZRDL-QWHCGFSZSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879575875 590814095 /nfs/dbraw/zinc/81/40/95/590814095.db2.gz NRDOSJMWHSNECU-MELADBBJSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879575875 590814097 /nfs/dbraw/zinc/81/40/97/590814097.db2.gz NRDOSJMWHSNECU-MELADBBJSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879575875 590814100 /nfs/dbraw/zinc/81/41/00/590814100.db2.gz NRDOSJMWHSNECU-MELADBBJSA-N 2 1 238.375 1.340 20 30 BDEDMP C[C@H](CCC#N)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580200 590821743 /nfs/dbraw/zinc/82/17/43/590821743.db2.gz FNSGCZHSZONFBF-AGIUHOORSA-N 2 1 221.348 1.705 20 30 BDEDMP C[C@H](CCC#N)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580200 590821744 /nfs/dbraw/zinc/82/17/44/590821744.db2.gz FNSGCZHSZONFBF-AGIUHOORSA-N 2 1 221.348 1.705 20 30 BDEDMP C[C@H](CCC#N)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580200 590821746 /nfs/dbraw/zinc/82/17/46/590821746.db2.gz FNSGCZHSZONFBF-AGIUHOORSA-N 2 1 221.348 1.705 20 30 BDEDMP C[C@H](CCC#N)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580200 590821747 /nfs/dbraw/zinc/82/17/47/590821747.db2.gz FNSGCZHSZONFBF-AGIUHOORSA-N 2 1 221.348 1.705 20 30 BDEDMP C#CCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261541 590980106 /nfs/dbraw/zinc/98/01/06/590980106.db2.gz WDKDTMQKTKDPCQ-CYBMUJFWSA-N 2 1 229.327 1.615 20 30 BDEDMP C#CCN1CCC[C@H]([NH2+]C2CC[NH+](CC)CC2)C1 ZINC000886659423 592293745 /nfs/dbraw/zinc/29/37/45/592293745.db2.gz MBJLFUGETZBPQY-HNNXBMFYSA-N 2 1 249.402 1.158 20 30 BDEDMP C=CC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130256 592448427 /nfs/dbraw/zinc/44/84/27/592448427.db2.gz AFICGEXLPDJRQA-LBPRGKRZSA-N 2 1 217.316 1.778 20 30 BDEDMP CCN(CC)C(=[NH2+])NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000104192951 592604807 /nfs/dbraw/zinc/60/48/07/592604807.db2.gz LVFQLRHVZRTNOQ-SNVBAGLBSA-N 2 1 226.368 1.126 20 30 BDEDMP CCN(CC)C(=[NH2+])NCC[N@H+](CC)C1CC1 ZINC000303991478 635934009 /nfs/dbraw/zinc/93/40/09/635934009.db2.gz ZLLNGECDYGKQQT-UHFFFAOYSA-N 2 1 226.368 1.127 20 30 BDEDMP CCN(CC)C(=[NH2+])NCC[N@@H+](CC)C1CC1 ZINC000303991478 635934011 /nfs/dbraw/zinc/93/40/11/635934011.db2.gz ZLLNGECDYGKQQT-UHFFFAOYSA-N 2 1 226.368 1.127 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1OC ZINC000328157055 633738926 /nfs/dbraw/zinc/73/89/26/633738926.db2.gz GZQOPQNJBBANDO-CHWSQXEVSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1OC ZINC000328157055 633738930 /nfs/dbraw/zinc/73/89/30/633738930.db2.gz GZQOPQNJBBANDO-CHWSQXEVSA-N 2 1 224.348 1.099 20 30 BDEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)NC(C)(C)C ZINC000303488791 636309491 /nfs/dbraw/zinc/30/94/91/636309491.db2.gz WKFRXMIGHUXQPE-JTQLQIEISA-N 2 1 226.368 1.044 20 30 BDEDMP CC(C)CNC(=[NH2+])NCC[N@H+]1CCCC[C@H]1C ZINC000303889881 636315186 /nfs/dbraw/zinc/31/51/86/636315186.db2.gz MGLUWZKGWXGEPA-GFCCVEGCSA-N 2 1 240.395 1.421 20 30 BDEDMP C=CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C(=O)OC ZINC000905778494 637908363 /nfs/dbraw/zinc/90/83/63/637908363.db2.gz KGZWMPUJUHMXFU-TUAOUCFPSA-N 2 1 240.347 1.034 20 30 BDEDMP C#CC1(O)CC[NH+](CCC[NH+](CC)CC)CC1 ZINC000931151571 640080297 /nfs/dbraw/zinc/08/02/97/640080297.db2.gz YOVNBSIXZXWMKT-UHFFFAOYSA-N 2 1 238.375 1.178 20 30 BDEDMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC3CCC(C#N)CC3)C[C@H]21 ZINC000931278493 640129111 /nfs/dbraw/zinc/12/91/11/640129111.db2.gz YJFKDDAHFYIMFZ-QSCRHYGLSA-N 2 1 247.386 1.808 20 30 BDEDMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC3CCC(C#N)CC3)C[C@H]21 ZINC000931278493 640129114 /nfs/dbraw/zinc/12/91/14/640129114.db2.gz YJFKDDAHFYIMFZ-QSCRHYGLSA-N 2 1 247.386 1.808 20 30 BDEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=[NH2+])N(C)C)C1 ZINC000170913489 640938227 /nfs/dbraw/zinc/93/82/27/640938227.db2.gz RNSIYZDWAZGIGS-TXEJJXNPSA-N 2 1 240.395 1.231 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000923281015 644314514 /nfs/dbraw/zinc/31/45/14/644314514.db2.gz NJALNGHNTUEICO-NEPJUHHUSA-N 2 1 212.337 1.127 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000923281015 644314518 /nfs/dbraw/zinc/31/45/18/644314518.db2.gz NJALNGHNTUEICO-NEPJUHHUSA-N 2 1 212.337 1.127 20 30 BDEDMP C=CCC[C@H](O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000923294683 644331624 /nfs/dbraw/zinc/33/16/24/644331624.db2.gz OHYMPTYTXWEHCB-NSHDSACASA-N 2 1 214.353 1.230 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329690 644349608 /nfs/dbraw/zinc/34/96/08/644349608.db2.gz XHIMKNHRPGJRPM-QNMSZWNNSA-N 2 1 238.375 1.528 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923366294 644378371 /nfs/dbraw/zinc/37/83/71/644378371.db2.gz JPKFYIOMRIJGOV-KBPBESRZSA-N 2 1 238.375 1.389 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923366297 644379119 /nfs/dbraw/zinc/37/91/19/644379119.db2.gz JPKFYIOMRIJGOV-ZIAGYGMSSA-N 2 1 238.375 1.389 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000923387944 644398766 /nfs/dbraw/zinc/39/87/66/644398766.db2.gz PDTOSEXNPPTRHL-HZSPNIEDSA-N 2 1 240.391 1.763 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923400020 644407512 /nfs/dbraw/zinc/40/75/12/644407512.db2.gz VYRHVUHRKHNVTP-FRRDWIJNSA-N 2 1 224.348 1.127 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000923400020 644407514 /nfs/dbraw/zinc/40/75/14/644407514.db2.gz VYRHVUHRKHNVTP-FRRDWIJNSA-N 2 1 224.348 1.127 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000923409289 644412273 /nfs/dbraw/zinc/41/22/73/644412273.db2.gz NDCYRTIOXUTROP-MELADBBJSA-N 2 1 238.375 1.245 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923415270 644416203 /nfs/dbraw/zinc/41/62/03/644416203.db2.gz ROBUACAQMJFBPA-MELADBBJSA-N 2 1 238.375 1.387 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923415451 644417129 /nfs/dbraw/zinc/41/71/29/644417129.db2.gz ROBUACAQMJFBPA-RDBSUJKOSA-N 2 1 238.375 1.387 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000923423260 644418438 /nfs/dbraw/zinc/41/84/38/644418438.db2.gz KOCQJQXNGXVZDM-MQYQWHSLSA-N 2 1 240.391 1.761 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000923423260 644418443 /nfs/dbraw/zinc/41/84/43/644418443.db2.gz KOCQJQXNGXVZDM-MQYQWHSLSA-N 2 1 240.391 1.761 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2ccncc2C#N)CC[C@H]1C[NH3+] ZINC000923493861 644470502 /nfs/dbraw/zinc/47/05/02/644470502.db2.gz ITCBBLCZFKAUKJ-RYUDHWBXSA-N 2 1 244.342 1.370 20 30 BDEDMP C#CCSCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246280717 644577699 /nfs/dbraw/zinc/57/76/99/644577699.db2.gz BNBNARCWVHBWFK-STQMWFEESA-N 2 1 238.400 1.569 20 30 BDEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])N[C@@H](C)CC)C1 ZINC000303267151 644813177 /nfs/dbraw/zinc/81/31/77/644813177.db2.gz WVRKBOAISNQEGX-NWDGAFQWSA-N 2 1 240.395 1.421 20 30 BDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCCCC1 ZINC000303709722 644837867 /nfs/dbraw/zinc/83/78/67/644837867.db2.gz NXNLNVIGOHEONO-GFCCVEGCSA-N 2 1 238.379 1.271 20 30 BDEDMP CCCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](CC)C1 ZINC000303868922 644850770 /nfs/dbraw/zinc/85/07/70/644850770.db2.gz AQHSOOJELSNCSK-NSHDSACASA-N 2 1 226.368 1.033 20 30 BDEDMP CC(C)NC(=[NH2+])NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000303876316 644852534 /nfs/dbraw/zinc/85/25/34/644852534.db2.gz DWKCUHHTYWPBCE-RYUDHWBXSA-N 2 1 240.395 1.420 20 30 BDEDMP CC(C)[N@@H+](C)CCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000303980626 644862344 /nfs/dbraw/zinc/86/23/44/644862344.db2.gz OHGMRGAKBQTFNP-LBPRGKRZSA-N 2 1 240.395 1.373 20 30 BDEDMP C#CC[NH+](C)CCCC[N@@H+](CC#C)C[C@H]1C[C@H]1C ZINC000859740542 645686241 /nfs/dbraw/zinc/68/62/41/645686241.db2.gz NUPCXZFQHJJWLH-HZPDHXFCSA-N 2 1 246.398 1.923 20 30 BDEDMP C#CC[NH+](CCCC[N@H+](C)CC#C)C[C@H]1C[C@H]1C ZINC000859740542 645686246 /nfs/dbraw/zinc/68/62/46/645686246.db2.gz NUPCXZFQHJJWLH-HZPDHXFCSA-N 2 1 246.398 1.923 20 30 BDEDMP C#CC[NH+](CCCC[N@@H+](C)CC#C)C[C@H]1C[C@H]1C ZINC000859740542 645686256 /nfs/dbraw/zinc/68/62/56/645686256.db2.gz NUPCXZFQHJJWLH-HZPDHXFCSA-N 2 1 246.398 1.923 20 30 BDEDMP C=CCC[C@@H](CO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925694488 646420093 /nfs/dbraw/zinc/42/00/93/646420093.db2.gz TWHRTBWMVYERDF-NWDGAFQWSA-N 2 1 224.348 1.188 20 30 BDEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925708390 646432621 /nfs/dbraw/zinc/43/26/21/646432621.db2.gz RWGPRMRIVYHLMU-FRRDWIJNSA-N 2 1 233.359 1.943 20 30 BDEDMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000925710823 646436440 /nfs/dbraw/zinc/43/64/40/646436440.db2.gz WMNTVGQOJZWODP-WRWGMCAJSA-N 2 1 207.321 1.409 20 30 BDEDMP C[NH+]1C[C@]2(C)C[NH+](CCCCC#N)C[C@@]2(C)C1 ZINC000706258379 711911138 /nfs/dbraw/zinc/91/11/38/711911138.db2.gz YETZGGXYIYSSCL-ZIAGYGMSSA-N 2 1 235.375 1.954 20 30 BDEDMP C#C[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000380346366 712891611 /nfs/dbraw/zinc/89/16/11/712891611.db2.gz UBHLXABISVASLU-NSHDSACASA-N 2 1 206.333 1.472 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C)ccc1O ZINC000392776497 711151796 /nfs/dbraw/zinc/15/17/96/711151796.db2.gz WJVRDXUJICIMRJ-UHFFFAOYSA-N 2 1 246.354 1.745 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C)ccc1O ZINC000392776497 711151797 /nfs/dbraw/zinc/15/17/97/711151797.db2.gz WJVRDXUJICIMRJ-UHFFFAOYSA-N 2 1 246.354 1.745 20 30 BDEDMP C#C[C@](C)(CC)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000384219681 710835269 /nfs/dbraw/zinc/83/52/69/710835269.db2.gz RVJSLYDHHURGOA-CHWSQXEVSA-N 2 1 226.364 1.079 20 30 BDEDMP C#C[C@](C)(CC)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000384219681 710835271 /nfs/dbraw/zinc/83/52/71/710835271.db2.gz RVJSLYDHHURGOA-CHWSQXEVSA-N 2 1 226.364 1.079 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](CCC)OC ZINC000385973611 711020503 /nfs/dbraw/zinc/02/05/03/711020503.db2.gz HBHVWLXJLQDRHN-ZDUSSCGKSA-N 2 1 226.364 1.346 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](CCC)OC ZINC000385973611 711020504 /nfs/dbraw/zinc/02/05/04/711020504.db2.gz HBHVWLXJLQDRHN-ZDUSSCGKSA-N 2 1 226.364 1.346 20 30 BDEDMP N#Cc1ccccc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723711507 711535905 /nfs/dbraw/zinc/53/59/05/711535905.db2.gz BMYMIGMWLRPAKL-GFCCVEGCSA-N 2 1 229.327 1.729 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]CC(CC)CC ZINC000328086171 711689317 /nfs/dbraw/zinc/68/93/17/711689317.db2.gz HOXOLXUYUUIRPR-UHFFFAOYSA-N 2 1 210.365 1.967 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]CC(CC)CC ZINC000328086171 711689318 /nfs/dbraw/zinc/68/93/18/711689318.db2.gz HOXOLXUYUUIRPR-UHFFFAOYSA-N 2 1 210.365 1.967 20 30 BDEDMP C#CC[N@@H+](C)CCCNCc1cncc(OC)c1 ZINC000700049230 711984928 /nfs/dbraw/zinc/98/49/28/711984928.db2.gz QJTBAWRPSDXCAB-UHFFFAOYSA-N 2 1 247.342 1.135 20 30 BDEDMP C#CC[N@H+](C)CCCNCc1cncc(OC)c1 ZINC000700049230 711984929 /nfs/dbraw/zinc/98/49/29/711984929.db2.gz QJTBAWRPSDXCAB-UHFFFAOYSA-N 2 1 247.342 1.135 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378923253 712367861 /nfs/dbraw/zinc/36/78/61/712367861.db2.gz QLULROGFFGNBJW-RDBSUJKOSA-N 2 1 220.360 1.720 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378923253 712367863 /nfs/dbraw/zinc/36/78/63/712367863.db2.gz QLULROGFFGNBJW-RDBSUJKOSA-N 2 1 220.360 1.720 20 30 BDEDMP C=CCC[C@H](O)C[NH2+]CCCc1[nH]cc[nH+]1 ZINC001252624788 968885902 /nfs/dbraw/zinc/88/59/02/968885902.db2.gz MCLATJPFQAKPAI-NSHDSACASA-N 2 1 223.320 1.259 20 30 BDEDMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H](C#N)C2)CC1 ZINC001208113288 969006547 /nfs/dbraw/zinc/00/65/47/969006547.db2.gz HARFCGFJAHSXBE-CYBMUJFWSA-N 2 1 235.375 1.954 20 30 BDEDMP C#C[C@@H]1CCC[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208608421 969163419 /nfs/dbraw/zinc/16/34/19/969163419.db2.gz IYXVJWDNVKMOPI-KGLIPLIRSA-N 2 1 220.360 1.673 20 30 BDEDMP C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C1CCC([NH3+])CC1 ZINC001254641638 969755863 /nfs/dbraw/zinc/75/58/63/969755863.db2.gz CMAQMVOUIXWGTQ-IKWCTNDRSA-N 2 1 221.348 1.880 20 30 BDEDMP C[N@@H+]([C@H]1CC[C@H](C#N)C1)C1CCC([NH3+])CC1 ZINC001254641639 969756549 /nfs/dbraw/zinc/75/65/49/969756549.db2.gz CMAQMVOUIXWGTQ-WTIISPKJSA-N 2 1 221.348 1.880 20 30 BDEDMP C=C[C@@](C)(O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001252541768 983808218 /nfs/dbraw/zinc/80/82/18/983808218.db2.gz SLSDCBJXTTYBNW-CQSZACIVSA-N 2 1 238.375 1.484 20 30 BDEDMP C[C@@H](CCC#N)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001575941756 984137093 /nfs/dbraw/zinc/13/70/93/984137093.db2.gz VBBFIGBFYPCVGY-SDDRHHMPSA-N 2 1 207.321 1.220 20 30 BDEDMP C[C@@H](CCC#N)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001575941756 984137096 /nfs/dbraw/zinc/13/70/96/984137096.db2.gz VBBFIGBFYPCVGY-SDDRHHMPSA-N 2 1 207.321 1.220 20 30 BDEDMP C=C[C@H](COC)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC001331518477 974745322 /nfs/dbraw/zinc/74/53/22/974745322.db2.gz IKZASEMHVUGGHH-NEPJUHHUSA-N 2 1 226.364 1.650 20 30 BDEDMP C=C[C@H](COC)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001331518477 974745327 /nfs/dbraw/zinc/74/53/27/974745327.db2.gz IKZASEMHVUGGHH-NEPJUHHUSA-N 2 1 226.364 1.650 20 30 BDEDMP C=CCO[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001327416175 972570823 /nfs/dbraw/zinc/57/08/23/972570823.db2.gz PNEWPCNZYKDSBO-BFHYXJOUSA-N 2 1 238.375 1.651 20 30 BDEDMP CC[N@@H+]1C[C@@H]2C[NH+](C3CCC(C#N)CC3)C[C@@H]2C1 ZINC001256971319 971049707 /nfs/dbraw/zinc/04/97/07/971049707.db2.gz OJYAXBMNYMPGTF-HFDVOGEKSA-N 2 1 247.386 1.952 20 30 BDEDMP CC[NH+]1C[C@@H]2C[N@H+](C3CCC(C#N)CC3)C[C@@H]2C1 ZINC001256971319 971049715 /nfs/dbraw/zinc/04/97/15/971049715.db2.gz OJYAXBMNYMPGTF-HFDVOGEKSA-N 2 1 247.386 1.952 20 30 BDEDMP CC[NH+]1C[C@@H]2C[N@@H+](C3CCC(C#N)CC3)C[C@@H]2C1 ZINC001256971319 971049730 /nfs/dbraw/zinc/04/97/30/971049730.db2.gz OJYAXBMNYMPGTF-HFDVOGEKSA-N 2 1 247.386 1.952 20 30 BDEDMP C=C(Cl)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405430188 971255074 /nfs/dbraw/zinc/25/50/74/971255074.db2.gz RXGAYWXYZIOGGW-RKDXNWHRSA-N 2 1 200.713 1.598 20 30 BDEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246126904 972189359 /nfs/dbraw/zinc/18/93/59/972189359.db2.gz KRHQPTKKMILUAC-WFASDCNBSA-N 2 1 243.354 1.831 20 30 BDEDMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C#N)CC2)C[NH2+]1 ZINC001246206774 972217459 /nfs/dbraw/zinc/21/74/59/972217459.db2.gz SOICCEKLWMCOQG-ZDEQEGDKSA-N 2 1 221.348 1.799 20 30 BDEDMP C[C@@H]1C[C@H]([NH2+]Cc2cncc(C#N)c2)CC[NH2+]1 ZINC001246352556 972300807 /nfs/dbraw/zinc/30/08/07/972300807.db2.gz RVCFMBZCRSXXBL-ZWNOBZJWSA-N 2 1 230.315 1.183 20 30 BDEDMP CC[N@@H+](CCC#N)CCC1CC[NH+](C)CC1 ZINC001207485228 960459505 /nfs/dbraw/zinc/45/95/05/960459505.db2.gz VJQHJTQTLXHDIG-UHFFFAOYSA-N 2 1 223.364 1.954 20 30 BDEDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[NH2+]1 ZINC000709341624 960526760 /nfs/dbraw/zinc/52/67/60/960526760.db2.gz DYUIVCVTKPOVNY-GXFFZTMASA-N 2 1 247.317 1.927 20 30 BDEDMP N#Cc1cc(C#N)cc(NC(=[NH2+])SCC[NH3+])c1 ZINC001167912307 961822052 /nfs/dbraw/zinc/82/20/52/961822052.db2.gz MOVBEZVNZFYBBT-UHFFFAOYSA-N 2 1 245.311 1.469 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2ccccc2CC#N)C[C@H]1C[NH3+] ZINC001205151580 966061708 /nfs/dbraw/zinc/06/17/08/966061708.db2.gz WWZIBBFKNRHHLU-SWLSCSKDSA-N 2 1 243.354 1.779 20 30 BDEDMP C[C@@]1([NH3+])CC[N@H+](CCCc2cccc(C#N)c2)C1 ZINC001204763218 967153627 /nfs/dbraw/zinc/15/36/27/967153627.db2.gz IECQZYFFPHBVPN-OAHLLOKOSA-N 2 1 243.354 1.914 20 30 BDEDMP C[C@@]1([NH3+])CC[N@@H+](CCCc2cccc(C#N)c2)C1 ZINC001204763218 967153636 /nfs/dbraw/zinc/15/36/36/967153636.db2.gz IECQZYFFPHBVPN-OAHLLOKOSA-N 2 1 243.354 1.914 20 30 BDEDMP C#Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205110773 967359410 /nfs/dbraw/zinc/35/94/10/967359410.db2.gz ZWKLQXKOSPPCHT-OAHLLOKOSA-N 2 1 228.339 1.981 20 30 BDEDMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCCc1ccc(C#N)cc1 ZINC001205170719 967405987 /nfs/dbraw/zinc/40/59/87/967405987.db2.gz BRQNVXMTMIJWOT-IUODEOHRSA-N 2 1 243.354 1.912 20 30 BDEDMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCCc1ccc(C#N)cc1 ZINC001205170719 967405993 /nfs/dbraw/zinc/40/59/93/967405993.db2.gz BRQNVXMTMIJWOT-IUODEOHRSA-N 2 1 243.354 1.912 20 30 BDEDMP C=CCNCC[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205984626 967935224 /nfs/dbraw/zinc/93/52/24/967935224.db2.gz SPSVSIIRVWETNP-QWHCGFSZSA-N 2 1 225.380 1.069 20 30 BDEDMP C=CCNCC[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205984626 967935243 /nfs/dbraw/zinc/93/52/43/967935243.db2.gz SPSVSIIRVWETNP-QWHCGFSZSA-N 2 1 225.380 1.069 20 30 BDEDMP C=CCC[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001252614608 968873261 /nfs/dbraw/zinc/87/32/61/968873261.db2.gz MTELHLZNKBGYLZ-CHWSQXEVSA-N 2 1 226.364 1.387 20 30 BDEDMP C=CCC[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001252617540 968877855 /nfs/dbraw/zinc/87/78/55/968877855.db2.gz FDZKFKXFJKRTAD-AWEZNQCLSA-N 2 1 238.375 1.530 20 30 BDEDMP C#CC1CC[NH+](C[C@H](O)C[NH+](CC)CC)CC1 ZINC001253195163 969105666 /nfs/dbraw/zinc/10/56/66/969105666.db2.gz OTUPWNRKDBJDPF-CQSZACIVSA-N 2 1 238.375 1.034 20 30 BDEDMP C#C[C@H]1CCC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208609295 969146476 /nfs/dbraw/zinc/14/64/76/969146476.db2.gz IYXVJWDNVKMOPI-UONOGXRCSA-N 2 1 220.360 1.673 20 30 BDEDMP C#C[C@H]1CCC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208609295 969146468 /nfs/dbraw/zinc/14/64/68/969146468.db2.gz IYXVJWDNVKMOPI-UONOGXRCSA-N 2 1 220.360 1.673 20 30 BDEDMP C#C[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208609295 969146473 /nfs/dbraw/zinc/14/64/73/969146473.db2.gz IYXVJWDNVKMOPI-UONOGXRCSA-N 2 1 220.360 1.673 20 30 BDEDMP C=C(C)C[N@@H+](CC)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253394188 969154711 /nfs/dbraw/zinc/15/47/11/969154711.db2.gz IBMBPPQAVIEUGS-GFCCVEGCSA-N 2 1 228.380 1.633 20 30 BDEDMP C#C[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208608421 969163410 /nfs/dbraw/zinc/16/34/10/969163410.db2.gz IYXVJWDNVKMOPI-KGLIPLIRSA-N 2 1 220.360 1.673 20 30 BDEDMP C#C[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208608421 969163414 /nfs/dbraw/zinc/16/34/14/969163414.db2.gz IYXVJWDNVKMOPI-KGLIPLIRSA-N 2 1 220.360 1.673 20 30 BDEDMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC001254656192 969764593 /nfs/dbraw/zinc/76/45/93/969764593.db2.gz IXIOYCVQNUJCDJ-SDDRHHMPSA-N 2 1 207.321 1.220 20 30 BDEDMP C[NH+](C)CCC[N@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC001254654472 969765753 /nfs/dbraw/zinc/76/57/53/969765753.db2.gz UWKCUAPPYSELDG-NEPJUHHUSA-N 2 1 209.337 1.562 20 30 BDEDMP C[NH+](C)CCC[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC001254654472 969765755 /nfs/dbraw/zinc/76/57/55/969765755.db2.gz UWKCUAPPYSELDG-NEPJUHHUSA-N 2 1 209.337 1.562 20 30 BDEDMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC001254676751 969783112 /nfs/dbraw/zinc/78/31/12/969783112.db2.gz NQTBCRZUWPAPGK-APIJFGDWSA-N 2 1 247.386 1.952 20 30 BDEDMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC001254676751 969783116 /nfs/dbraw/zinc/78/31/16/969783116.db2.gz NQTBCRZUWPAPGK-APIJFGDWSA-N 2 1 247.386 1.952 20 30 BDEDMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC001254676751 969783120 /nfs/dbraw/zinc/78/31/20/969783120.db2.gz NQTBCRZUWPAPGK-APIJFGDWSA-N 2 1 247.386 1.952 20 30 BDEDMP C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCC[C@@H]1C[NH3+] ZINC001246567421 972816958 /nfs/dbraw/zinc/81/69/58/972816958.db2.gz KUVKVLQHVPBKAF-XJFOESAGSA-N 2 1 235.375 1.985 20 30 BDEDMP N#Cc1cncc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC000721583033 977494715 /nfs/dbraw/zinc/49/47/15/977494715.db2.gz ZOJRLZUKOWMBAH-GFCCVEGCSA-N 2 1 244.342 1.514 20 30 BDEDMP N#Cc1cncc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC000721583033 977494725 /nfs/dbraw/zinc/49/47/25/977494725.db2.gz ZOJRLZUKOWMBAH-GFCCVEGCSA-N 2 1 244.342 1.514 20 30 BDEDMP CC1(C)NC[C@@H](C[N@H+]2CCC[C@H](CC#N)C2)O1 ZINC001235779169 979149553 /nfs/dbraw/zinc/14/95/53/979149553.db2.gz XQOYBAMANDAFMN-NEPJUHHUSA-N 2 1 237.347 1.337 20 30 BDEDMP N#Cc1ccccc1OC1C[NH+](CCCC[NH3+])C1 ZINC001237181040 979831724 /nfs/dbraw/zinc/83/17/24/979831724.db2.gz PYLKRNYILHLOIA-UHFFFAOYSA-N 2 1 245.326 1.360 20 30 BDEDMP COCC#CC[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC001578949671 985539074 /nfs/dbraw/zinc/53/90/74/985539074.db2.gz LLQMEQHBLVPNRT-CQSZACIVSA-N 2 1 238.375 1.333 20 30 BDEDMP C=C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001253611693 986286413 /nfs/dbraw/zinc/28/64/13/986286413.db2.gz SNEQCVPGUQBBSY-RWMBFGLXSA-N 2 1 226.364 1.242 20 30 BDEDMP C=C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001253611691 986290684 /nfs/dbraw/zinc/29/06/84/986290684.db2.gz SNEQCVPGUQBBSY-FRRDWIJNSA-N 2 1 226.364 1.242 20 30 BDEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001462671734 986503450 /nfs/dbraw/zinc/50/34/50/986503450.db2.gz SFOOHNDEIIZNBV-AAVRWANBSA-N 2 1 235.375 1.856 20 30 BDEDMP N#Cc1ccnc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC001580080861 986521916 /nfs/dbraw/zinc/52/19/16/986521916.db2.gz JETNSDAPELCEJI-NSHDSACASA-N 2 1 230.315 1.124 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1[C@@H](C)CC[C@H]1CN ZINC001246014815 987293654 /nfs/dbraw/zinc/29/36/54/987293654.db2.gz DIBTYUQJOVEFJB-SDDRHHMPSA-N 2 1 212.337 1.125 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246014815 987293658 /nfs/dbraw/zinc/29/36/58/987293658.db2.gz DIBTYUQJOVEFJB-SDDRHHMPSA-N 2 1 212.337 1.125 20 30 BDEDMP C=C[C@@](C)(O)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246018318 987301659 /nfs/dbraw/zinc/30/16/59/987301659.db2.gz AUSIFEIIDPXLSN-CHWSQXEVSA-N 2 1 226.364 1.374 20 30 BDEDMP CC[C@H](CC#N)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246555443 987964640 /nfs/dbraw/zinc/96/46/40/987964640.db2.gz FEXHKZXBRXEYMK-JHJVBQTASA-N 2 1 223.364 1.985 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)C1 ZINC001246558445 987972838 /nfs/dbraw/zinc/97/28/38/987972838.db2.gz LBOJPUFCJBUUBS-GMTAPVOTSA-N 2 1 243.301 1.595 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)C1 ZINC001246558445 987972845 /nfs/dbraw/zinc/97/28/45/987972845.db2.gz LBOJPUFCJBUUBS-GMTAPVOTSA-N 2 1 243.301 1.595 20 30 BDEDMP CCCCCCC[C@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246576484 988085226 /nfs/dbraw/zinc/08/52/26/988085226.db2.gz GMWGAQMFZOIAKK-MELADBBJSA-N 2 1 242.407 1.987 20 30 BDEDMP CCCCCCC[C@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246579697 988102001 /nfs/dbraw/zinc/10/20/01/988102001.db2.gz GMWGAQMFZOIAKK-IHRRRGAJSA-N 2 1 242.407 1.987 20 30 BDEDMP N#C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246932070 988763312 /nfs/dbraw/zinc/76/33/12/988763312.db2.gz PEGYSYFXMIJCIZ-IGQOVBAYSA-N 2 1 233.359 1.610 20 30 BDEDMP C#CC[N@@H+](CC1CC1)CC1CC[NH+](C)CC1 ZINC001120017462 989565605 /nfs/dbraw/zinc/56/56/05/989565605.db2.gz AOZXHURDKLIUMC-UHFFFAOYSA-N 2 1 220.360 1.673 20 30 BDEDMP CN1CCC([N@H+](C)Cc2ccc(C#N)nc2)CC1 ZINC001140540819 991664327 /nfs/dbraw/zinc/66/43/27/991664327.db2.gz NHHOYRBDAQTJAW-UHFFFAOYSA-N 2 1 244.342 1.479 20 30 BDEDMP CN1CCC([N@@H+](C)Cc2ccc(C#N)nc2)CC1 ZINC001140540819 991664332 /nfs/dbraw/zinc/66/43/32/991664332.db2.gz NHHOYRBDAQTJAW-UHFFFAOYSA-N 2 1 244.342 1.479 20 30 BDEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258731114 991672060 /nfs/dbraw/zinc/67/20/60/991672060.db2.gz ALNHZBLLZLTLAU-RWMBFGLXSA-N 2 1 208.349 1.835 20 30 BDEDMP C=CCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001258731114 991672062 /nfs/dbraw/zinc/67/20/62/991672062.db2.gz ALNHZBLLZLTLAU-RWMBFGLXSA-N 2 1 208.349 1.835 20 30 BDEDMP C=CCC[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001258731114 991672070 /nfs/dbraw/zinc/67/20/70/991672070.db2.gz ALNHZBLLZLTLAU-RWMBFGLXSA-N 2 1 208.349 1.835 20 30 BDEDMP C#CC[N@H+](C)CCCNc1cc(F)cc(C)[nH+]1 ZINC001262697068 993038935 /nfs/dbraw/zinc/03/89/35/993038935.db2.gz ASMNWDJAVVPBJD-UHFFFAOYSA-N 2 1 235.306 1.896 20 30 BDEDMP C#CC[N@@H+](C)CCCNc1cc(F)cc(C)[nH+]1 ZINC001262697068 993038940 /nfs/dbraw/zinc/03/89/40/993038940.db2.gz ASMNWDJAVVPBJD-UHFFFAOYSA-N 2 1 235.306 1.896 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000424291564 398180546 /nfs/dbraw/zinc/18/05/46/398180546.db2.gz DQJJXTSGISDYNR-RFGFWPKPSA-N 2 1 238.375 1.650 20 30 BDEDMP C[C@@H](CNC(=[NH2+])N(C)C)[N@H+](C)Cc1ccccc1 ZINC000178573873 136217388 /nfs/dbraw/zinc/21/73/88/136217388.db2.gz BEKZIFICSAXRGD-LBPRGKRZSA-N 2 1 248.374 1.383 20 30 BDEDMP C[C@@H](CNC(=[NH2+])N(C)C)[N@@H+](C)Cc1ccccc1 ZINC000178573873 136217389 /nfs/dbraw/zinc/21/73/89/136217389.db2.gz BEKZIFICSAXRGD-LBPRGKRZSA-N 2 1 248.374 1.383 20 30 BDEDMP C[NH+]1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000037250035 361783793 /nfs/dbraw/zinc/78/37/93/361783793.db2.gz NHURLRCLVNDFQI-UHFFFAOYSA-N 2 1 229.327 1.742 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000378781836 346833270 /nfs/dbraw/zinc/83/32/70/346833270.db2.gz HUZXWQVDOHTGES-KGLIPLIRSA-N 2 1 222.376 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000378781836 346833272 /nfs/dbraw/zinc/83/32/72/346833272.db2.gz HUZXWQVDOHTGES-KGLIPLIRSA-N 2 1 222.376 1.966 20 30 BDEDMP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000602546496 349589560 /nfs/dbraw/zinc/58/95/60/349589560.db2.gz DJCZJVJYAYGOQT-STQMWFEESA-N 2 1 223.364 1.858 20 30 BDEDMP N#CCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363259690 136269187 /nfs/dbraw/zinc/26/91/87/136269187.db2.gz PZJWYKQTOGMPFU-RDBSUJKOSA-N 2 1 233.359 1.706 20 30 BDEDMP N#CCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363259690 136269188 /nfs/dbraw/zinc/26/91/88/136269188.db2.gz PZJWYKQTOGMPFU-RDBSUJKOSA-N 2 1 233.359 1.706 20 30 BDEDMP N#CCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363259690 136269189 /nfs/dbraw/zinc/26/91/89/136269189.db2.gz PZJWYKQTOGMPFU-RDBSUJKOSA-N 2 1 233.359 1.706 20 30 BDEDMP N#CCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363259690 136269190 /nfs/dbraw/zinc/26/91/90/136269190.db2.gz PZJWYKQTOGMPFU-RDBSUJKOSA-N 2 1 233.359 1.706 20 30 BDEDMP C=C(C)C[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350260536 136357549 /nfs/dbraw/zinc/35/75/49/136357549.db2.gz WSWXIMWACJPGLA-CQSZACIVSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CCCOCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336718959 346979694 /nfs/dbraw/zinc/97/96/94/346979694.db2.gz RLWUDDZPQGMEMF-UHFFFAOYSA-N 2 1 238.375 1.796 20 30 BDEDMP N#Cc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000135150933 343943541 /nfs/dbraw/zinc/94/35/41/343943541.db2.gz XWGSUGGUISYYJE-VXGBXAGGSA-N 2 1 245.326 1.868 20 30 BDEDMP C[N@H+]1CC[C@@]2(CC[NH+](CCCCC#N)C2)C1 ZINC000309338911 347037421 /nfs/dbraw/zinc/03/74/21/347037421.db2.gz KQELTDMHSSPDTJ-CYBMUJFWSA-N 2 1 221.348 1.708 20 30 BDEDMP C[NH+]1CC[C@@]2(CC[N@H+](CCCCC#N)C2)C1 ZINC000309338911 347037424 /nfs/dbraw/zinc/03/74/24/347037424.db2.gz KQELTDMHSSPDTJ-CYBMUJFWSA-N 2 1 221.348 1.708 20 30 BDEDMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCCC#N)C2)C1 ZINC000309338911 347037427 /nfs/dbraw/zinc/03/74/27/347037427.db2.gz KQELTDMHSSPDTJ-CYBMUJFWSA-N 2 1 221.348 1.708 20 30 BDEDMP C[NH+]1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000258875299 344512013 /nfs/dbraw/zinc/51/20/13/344512013.db2.gz TVMAFKUGQHILDU-UHFFFAOYSA-N 2 1 221.348 1.753 20 30 BDEDMP Cc1[nH+]ccn1CCC[NH+]1CCC(C#N)CC1 ZINC000127326731 345173462 /nfs/dbraw/zinc/17/34/62/345173462.db2.gz XSWCGHSAKOTUAY-UHFFFAOYSA-N 2 1 232.331 1.817 20 30 BDEDMP C[C@@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)CC[N@H+]1C ZINC000158266159 345313861 /nfs/dbraw/zinc/31/38/61/345313861.db2.gz LYOXLRNHODTPDR-NEPJUHHUSA-N 2 1 221.348 1.753 20 30 BDEDMP CC#CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081632275 345488578 /nfs/dbraw/zinc/48/85/78/345488578.db2.gz GMEDFPYLOBZAGP-CQSZACIVSA-N 2 1 220.360 1.673 20 30 BDEDMP CC#CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081632275 345488580 /nfs/dbraw/zinc/48/85/80/345488580.db2.gz GMEDFPYLOBZAGP-CQSZACIVSA-N 2 1 220.360 1.673 20 30 BDEDMP CC#CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081632275 345488582 /nfs/dbraw/zinc/48/85/82/345488582.db2.gz GMEDFPYLOBZAGP-CQSZACIVSA-N 2 1 220.360 1.673 20 30 BDEDMP CC#CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081632275 345488584 /nfs/dbraw/zinc/48/85/84/345488584.db2.gz GMEDFPYLOBZAGP-CQSZACIVSA-N 2 1 220.360 1.673 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000309524297 347092038 /nfs/dbraw/zinc/09/20/38/347092038.db2.gz CHBGEGMVMRVUTF-GFCCVEGCSA-N 2 1 240.416 1.980 20 30 BDEDMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000591580593 347677700 /nfs/dbraw/zinc/67/77/00/347677700.db2.gz AESJCGQLAKBKRH-ZJUUUORDSA-N 2 1 203.289 1.556 20 30 BDEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1 ZINC000591578049 347677870 /nfs/dbraw/zinc/67/78/70/347677870.db2.gz PLMUFMGGDBRJMG-FRRDWIJNSA-N 2 1 221.348 1.800 20 30 BDEDMP C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000595887020 348389218 /nfs/dbraw/zinc/38/92/18/348389218.db2.gz BIOBDQVIBWTVNM-SWLSCSKDSA-N 2 1 243.354 1.770 20 30 BDEDMP C[C@]1(C[NH3+])CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595895589 348391837 /nfs/dbraw/zinc/39/18/37/348391837.db2.gz PSBZISMEVHIOKF-OAHLLOKOSA-N 2 1 243.354 1.771 20 30 BDEDMP C=CCCSCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000596651929 348606297 /nfs/dbraw/zinc/60/62/97/348606297.db2.gz SCONMTRYTUINBB-VXGBXAGGSA-N 2 1 228.405 1.883 20 30 BDEDMP C[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@H]1CCC[NH2+]1 ZINC000596652587 348607203 /nfs/dbraw/zinc/60/72/03/348607203.db2.gz VCWBLUUMJOKTHC-SWLSCSKDSA-N 2 1 243.354 1.831 20 30 BDEDMP Cc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1C#N ZINC000599269626 349136206 /nfs/dbraw/zinc/13/62/06/349136206.db2.gz UZXXEZGWQNVIHQ-HUUCEWRRSA-N 2 1 241.338 1.518 20 30 BDEDMP C#Cc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000289763161 353635002 /nfs/dbraw/zinc/63/50/02/353635002.db2.gz QLOGYETWGBZXMN-IYBDPMFKSA-N 2 1 240.350 1.661 20 30 BDEDMP C#Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000289763161 353635003 /nfs/dbraw/zinc/63/50/03/353635003.db2.gz QLOGYETWGBZXMN-IYBDPMFKSA-N 2 1 240.350 1.661 20 30 BDEDMP C#Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000289763161 353635005 /nfs/dbraw/zinc/63/50/05/353635005.db2.gz QLOGYETWGBZXMN-IYBDPMFKSA-N 2 1 240.350 1.661 20 30 BDEDMP C#Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000289763161 353635007 /nfs/dbraw/zinc/63/50/07/353635007.db2.gz QLOGYETWGBZXMN-IYBDPMFKSA-N 2 1 240.350 1.661 20 30 BDEDMP C=CC[NH+]1CCC(N[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000344269694 354187217 /nfs/dbraw/zinc/18/72/17/354187217.db2.gz CEVIGLVCPUXVCP-JSGCOSHPSA-N 2 1 237.391 1.177 20 30 BDEDMP C=CC[NH+]1CCC(N[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000344269694 354187221 /nfs/dbraw/zinc/18/72/21/354187221.db2.gz CEVIGLVCPUXVCP-JSGCOSHPSA-N 2 1 237.391 1.177 20 30 BDEDMP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@@H]1[NH3+] ZINC000094339187 356773759 /nfs/dbraw/zinc/77/37/59/356773759.db2.gz BHPQYTVEJRIXQQ-RISCZKNCSA-N 2 1 229.327 1.727 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1[NH3+] ZINC000094339187 356773762 /nfs/dbraw/zinc/77/37/62/356773762.db2.gz BHPQYTVEJRIXQQ-RISCZKNCSA-N 2 1 229.327 1.727 20 30 BDEDMP C=CC[C@@H]1CC[N@H+](Cc2cnc(N(C)C)n2C)C1 ZINC000628406188 357201469 /nfs/dbraw/zinc/20/14/69/357201469.db2.gz DLVQGIPSFDXNPN-GFCCVEGCSA-N 2 1 248.374 1.884 20 30 BDEDMP C=CC[C@H](CC)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000393840504 357303347 /nfs/dbraw/zinc/30/33/47/357303347.db2.gz HLSNZVUHBMFHIM-WCQYABFASA-N 2 1 226.364 1.386 20 30 BDEDMP C=CC[C@H](CC)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000393840504 357303349 /nfs/dbraw/zinc/30/33/49/357303349.db2.gz HLSNZVUHBMFHIM-WCQYABFASA-N 2 1 226.364 1.386 20 30 BDEDMP C=CCNC(=[NH2+])NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000360453977 134200704 /nfs/dbraw/zinc/20/07/04/134200704.db2.gz FTYWQXARUJFJQY-YOGCLGLASA-N 2 1 236.363 1.159 20 30 BDEDMP C=CCC[C@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000305069533 134239720 /nfs/dbraw/zinc/23/97/20/134239720.db2.gz IXNVXLYSXTUDCI-KGLIPLIRSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CCC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000305069533 134239721 /nfs/dbraw/zinc/23/97/21/134239721.db2.gz IXNVXLYSXTUDCI-KGLIPLIRSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CCC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000305069533 134239722 /nfs/dbraw/zinc/23/97/22/134239722.db2.gz IXNVXLYSXTUDCI-KGLIPLIRSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CCCC[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308825523 491138257 /nfs/dbraw/zinc/13/82/57/491138257.db2.gz DNQOJSHYZZBZEL-UPJWGTAASA-N 2 1 208.349 1.882 20 30 BDEDMP C#CC[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000090003374 360052935 /nfs/dbraw/zinc/05/29/35/360052935.db2.gz PJNYEKVFRXOLLT-GFCCVEGCSA-N 2 1 217.316 1.308 20 30 BDEDMP C#CC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003374 360052941 /nfs/dbraw/zinc/05/29/41/360052941.db2.gz PJNYEKVFRXOLLT-GFCCVEGCSA-N 2 1 217.316 1.308 20 30 BDEDMP C=CC[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000629650021 361546018 /nfs/dbraw/zinc/54/60/18/361546018.db2.gz OKHNSIHAKJQJBZ-CHWSQXEVSA-N 2 1 208.349 1.884 20 30 BDEDMP C=CCC[C@H](CCC)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154389474 201274932 /nfs/dbraw/zinc/27/49/32/201274932.db2.gz JUWVLXIIKUFAJQ-STQMWFEESA-N 2 1 228.380 1.633 20 30 BDEDMP C=CC1CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000574288869 365030696 /nfs/dbraw/zinc/03/06/96/365030696.db2.gz WRLNFLFCLIPGIH-ZDUSSCGKSA-N 2 1 226.364 1.197 20 30 BDEDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(C#N)o2)C1 ZINC000459744815 203352655 /nfs/dbraw/zinc/35/26/55/203352655.db2.gz XXNJZYKEONADAH-GFCCVEGCSA-N 2 1 247.342 1.973 20 30 BDEDMP C#CCCC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000375213602 533036286 /nfs/dbraw/zinc/03/62/86/533036286.db2.gz AATWDMVCMCFCEL-CHWSQXEVSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000375213602 533036288 /nfs/dbraw/zinc/03/62/88/533036288.db2.gz AATWDMVCMCFCEL-CHWSQXEVSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000375213602 533036290 /nfs/dbraw/zinc/03/62/90/533036290.db2.gz AATWDMVCMCFCEL-CHWSQXEVSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000375213602 533036294 /nfs/dbraw/zinc/03/62/94/533036294.db2.gz AATWDMVCMCFCEL-CHWSQXEVSA-N 2 1 206.333 1.426 20 30 BDEDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000126865344 384181895 /nfs/dbraw/zinc/18/18/95/384181895.db2.gz TWFUKUXTMNPMJH-BXUZGUMPSA-N 2 1 229.327 1.727 20 30 BDEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000336322511 384206133 /nfs/dbraw/zinc/20/61/33/384206133.db2.gz PGIZUPOSJGRVMY-CABCVRRESA-N 2 1 241.338 1.600 20 30 BDEDMP N#Cc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000336322511 384206142 /nfs/dbraw/zinc/20/61/42/384206142.db2.gz PGIZUPOSJGRVMY-CABCVRRESA-N 2 1 241.338 1.600 20 30 BDEDMP C#CCC[NH+]1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000371207592 533046607 /nfs/dbraw/zinc/04/66/07/533046607.db2.gz LFRGHEICOHMSGH-ZDUSSCGKSA-N 2 1 220.360 1.958 20 30 BDEDMP C#CCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000371207592 533046609 /nfs/dbraw/zinc/04/66/09/533046609.db2.gz LFRGHEICOHMSGH-ZDUSSCGKSA-N 2 1 220.360 1.958 20 30 BDEDMP N#CCC[C@H](C#N)CN[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000569568926 384257892 /nfs/dbraw/zinc/25/78/92/384257892.db2.gz SLSDOFFSRIOMHL-RDBSUJKOSA-N 2 1 246.358 1.646 20 30 BDEDMP C#CC[N@H+](CC)CCC[NH+]1CCCCC1 ZINC000491046357 384779731 /nfs/dbraw/zinc/77/97/31/384779731.db2.gz QGQMDADPHJJREV-UHFFFAOYSA-N 2 1 208.349 1.818 20 30 BDEDMP C#CC[N@@H+](CC)CCC[NH+]1CCCCC1 ZINC000491046357 384779741 /nfs/dbraw/zinc/77/97/41/384779741.db2.gz QGQMDADPHJJREV-UHFFFAOYSA-N 2 1 208.349 1.818 20 30 BDEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCC#N ZINC000309110990 385426098 /nfs/dbraw/zinc/42/60/98/385426098.db2.gz JQZWAKQOSDVAKN-IJLUTSLNSA-N 2 1 209.337 1.608 20 30 BDEDMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)CC[N@H+]1C ZINC000414175999 386019909 /nfs/dbraw/zinc/01/99/09/386019909.db2.gz ZYDBSMFRAJMQTL-VXGBXAGGSA-N 2 1 223.364 1.999 20 30 BDEDMP C=CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1CC1 ZINC000423526002 387355101 /nfs/dbraw/zinc/35/51/01/387355101.db2.gz UUFVDOLNACYUGY-UONOGXRCSA-N 2 1 237.391 1.224 20 30 BDEDMP C#CCN(CC)[C@@H](C)CC[N@H+](CC)CC#C ZINC000269324023 387420447 /nfs/dbraw/zinc/42/04/47/387420447.db2.gz NWWHZJLTKRCWGS-AWEZNQCLSA-N 2 1 220.360 1.675 20 30 BDEDMP C#CCN(CC)[C@@H](C)CC[N@@H+](CC)CC#C ZINC000269324023 387420451 /nfs/dbraw/zinc/42/04/51/387420451.db2.gz NWWHZJLTKRCWGS-AWEZNQCLSA-N 2 1 220.360 1.675 20 30 BDEDMP C#CC[NH+](C)CCCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000327980310 387601977 /nfs/dbraw/zinc/60/19/77/387601977.db2.gz IODDRLGUTOEXNC-KGLIPLIRSA-N 2 1 237.391 1.014 20 30 BDEDMP C#CC[N@@H+](C)CCCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000327980310 387601982 /nfs/dbraw/zinc/60/19/82/387601982.db2.gz IODDRLGUTOEXNC-KGLIPLIRSA-N 2 1 237.391 1.014 20 30 BDEDMP C#CC[N@H+](C)CCCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000327980310 387601985 /nfs/dbraw/zinc/60/19/85/387601985.db2.gz IODDRLGUTOEXNC-KGLIPLIRSA-N 2 1 237.391 1.014 20 30 BDEDMP C=C(C)COCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422985785 387795340 /nfs/dbraw/zinc/79/53/40/387795340.db2.gz AHGQOHVJEQMKHW-NSHDSACASA-N 2 1 235.331 1.737 20 30 BDEDMP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000442709469 387827266 /nfs/dbraw/zinc/82/72/66/387827266.db2.gz OECMMFCGXBHLJD-AGIUHOORSA-N 2 1 233.359 1.753 20 30 BDEDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424316229 387968088 /nfs/dbraw/zinc/96/80/88/387968088.db2.gz AVZLNONSWQCVAR-RVMXOQNASA-N 2 1 221.348 1.608 20 30 BDEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424316229 387968093 /nfs/dbraw/zinc/96/80/93/387968093.db2.gz AVZLNONSWQCVAR-RVMXOQNASA-N 2 1 221.348 1.608 20 30 BDEDMP C=CCCCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000449245209 388161996 /nfs/dbraw/zinc/16/19/96/388161996.db2.gz ZFZPFGXNNDIEGK-KBPBESRZSA-N 2 1 240.391 1.778 20 30 BDEDMP C=CCCCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000449245209 388161998 /nfs/dbraw/zinc/16/19/98/388161998.db2.gz ZFZPFGXNNDIEGK-KBPBESRZSA-N 2 1 240.391 1.778 20 30 BDEDMP C#CCN(CC)CC[C@H]1CCCC[N@H+]1C ZINC000491315169 388284452 /nfs/dbraw/zinc/28/44/52/388284452.db2.gz LEKZHRVHAWWFKK-CYBMUJFWSA-N 2 1 208.349 1.816 20 30 BDEDMP C#CC[N@H+](CC)CC[C@H]1CCCC[NH+]1C ZINC000491315169 388284454 /nfs/dbraw/zinc/28/44/54/388284454.db2.gz LEKZHRVHAWWFKK-CYBMUJFWSA-N 2 1 208.349 1.816 20 30 BDEDMP C#CC[N@@H+](CC)CC[C@H]1CCCC[NH+]1C ZINC000491315169 388284456 /nfs/dbraw/zinc/28/44/56/388284456.db2.gz LEKZHRVHAWWFKK-CYBMUJFWSA-N 2 1 208.349 1.816 20 30 BDEDMP C#CC[NH+](CC)CC[C@H]1CCCC[N@@H+]1C ZINC000491315169 388284457 /nfs/dbraw/zinc/28/44/57/388284457.db2.gz LEKZHRVHAWWFKK-CYBMUJFWSA-N 2 1 208.349 1.816 20 30 BDEDMP C#CC[NH+](CC)CC[C@H]1CCCC[N@H+]1C ZINC000491315169 388284459 /nfs/dbraw/zinc/28/44/59/388284459.db2.gz LEKZHRVHAWWFKK-CYBMUJFWSA-N 2 1 208.349 1.816 20 30 BDEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000423424445 388692818 /nfs/dbraw/zinc/69/28/18/388692818.db2.gz FPYFQXIKEBCIRF-LJISPDSOSA-N 2 1 239.322 1.353 20 30 BDEDMP C=CCC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000564989509 388905703 /nfs/dbraw/zinc/90/57/03/388905703.db2.gz OYBJEOIBJPJDFL-LBPRGKRZSA-N 2 1 224.348 1.250 20 30 BDEDMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])NC(C)(C)C ZINC000104168135 134159164 /nfs/dbraw/zinc/15/91/64/134159164.db2.gz BZYWYHZRMQCIDJ-LLVKDONJSA-N 2 1 240.395 1.564 20 30 BDEDMP C=CCC[C@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000305082825 134239501 /nfs/dbraw/zinc/23/95/01/134239501.db2.gz MXJGEXBPJLYTAP-KBPBESRZSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000305082825 134239502 /nfs/dbraw/zinc/23/95/02/134239502.db2.gz MXJGEXBPJLYTAP-KBPBESRZSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000305082825 134239503 /nfs/dbraw/zinc/23/95/03/134239503.db2.gz MXJGEXBPJLYTAP-KBPBESRZSA-N 2 1 240.391 1.587 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccncc1 ZINC000294973005 135379051 /nfs/dbraw/zinc/37/90/51/135379051.db2.gz KAYIIRWBPCVEAW-ZDUSSCGKSA-N 2 1 231.343 1.687 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccncc1 ZINC000294973005 135379053 /nfs/dbraw/zinc/37/90/53/135379053.db2.gz KAYIIRWBPCVEAW-ZDUSSCGKSA-N 2 1 231.343 1.687 20 30 BDEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000651762844 411142259 /nfs/dbraw/zinc/14/22/59/411142259.db2.gz SMIOJQXLPHMJFP-HZSPNIEDSA-N 2 1 238.375 1.387 20 30 BDEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000651762844 411142260 /nfs/dbraw/zinc/14/22/60/411142260.db2.gz SMIOJQXLPHMJFP-HZSPNIEDSA-N 2 1 238.375 1.387 20 30 BDEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000203306803 170006945 /nfs/dbraw/zinc/00/69/45/170006945.db2.gz XSBMWSGIHFLEIP-LBPRGKRZSA-N 2 1 246.358 1.755 20 30 BDEDMP C=CC[N@H+](CCC1CC[NH2+]CC1)[C@H](C)COC ZINC000662298465 412084307 /nfs/dbraw/zinc/08/43/07/412084307.db2.gz CVXHLVZTPYCGOC-CYBMUJFWSA-N 2 1 240.391 1.899 20 30 BDEDMP C=CC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H](C)COC ZINC000662299654 412086293 /nfs/dbraw/zinc/08/62/93/412086293.db2.gz TYTRZGPBBLHYFL-ZIAGYGMSSA-N 2 1 240.391 1.899 20 30 BDEDMP C=CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319476 412098332 /nfs/dbraw/zinc/09/83/32/412098332.db2.gz NZSBKFYJXHNACD-LBPRGKRZSA-N 2 1 212.337 1.215 20 30 BDEDMP C=CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319476 412098336 /nfs/dbraw/zinc/09/83/36/412098336.db2.gz NZSBKFYJXHNACD-LBPRGKRZSA-N 2 1 212.337 1.215 20 30 BDEDMP C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1C[NH3+] ZINC000163476022 176176227 /nfs/dbraw/zinc/17/62/27/176176227.db2.gz YNVBCCXMCHUDAC-DOMZBBRYSA-N 2 1 243.354 1.975 20 30 BDEDMP C=CC[NH+]1CCC(N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000568249327 326334792 /nfs/dbraw/zinc/33/47/92/326334792.db2.gz NNYMWAKFWJKPSV-TZMCWYRMSA-N 2 1 237.391 1.496 20 30 BDEDMP C=C(C)[C@@H](CO)[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000677480322 488049618 /nfs/dbraw/zinc/04/96/18/488049618.db2.gz XBKIZDQKIOTEBT-ZIAGYGMSSA-N 2 1 240.391 1.587 20 30 BDEDMP C=C(C)[C@@H](CO)[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000677480322 488049622 /nfs/dbraw/zinc/04/96/22/488049622.db2.gz XBKIZDQKIOTEBT-ZIAGYGMSSA-N 2 1 240.391 1.587 20 30 BDEDMP C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000677480322 488049627 /nfs/dbraw/zinc/04/96/27/488049627.db2.gz XBKIZDQKIOTEBT-ZIAGYGMSSA-N 2 1 240.391 1.587 20 30 BDEDMP C=C(C)[C@@H](CO)[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000677480322 488049630 /nfs/dbraw/zinc/04/96/30/488049630.db2.gz XBKIZDQKIOTEBT-ZIAGYGMSSA-N 2 1 240.391 1.587 20 30 BDEDMP CC#CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125274505 490427066 /nfs/dbraw/zinc/42/70/66/490427066.db2.gz XMJNTCYCJRBHKP-UHFFFAOYSA-N 2 1 215.300 1.227 20 30 BDEDMP C=CCCOCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400523821 527367901 /nfs/dbraw/zinc/36/79/01/527367901.db2.gz PGCCLUWLHMQPQA-NWDGAFQWSA-N 2 1 212.337 1.309 20 30 BDEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N[C@@H]1C[C@@H]1C ZINC000262836895 535261908 /nfs/dbraw/zinc/26/19/08/535261908.db2.gz SRTXUQOCZCAIDR-CMPLNLGQSA-N 2 1 249.362 1.155 20 30 BDEDMP C#CC[N@H+](C)CCCNc1cc(CO)cc(C)[nH+]1 ZINC000853647355 588752174 /nfs/dbraw/zinc/75/21/74/588752174.db2.gz ZPZFPXKTEBUSEU-UHFFFAOYSA-N 2 1 247.342 1.249 20 30 BDEDMP C#CC[N@@H+](C)CCCNc1cc(CO)cc(C)[nH+]1 ZINC000853647355 588752175 /nfs/dbraw/zinc/75/21/75/588752175.db2.gz ZPZFPXKTEBUSEU-UHFFFAOYSA-N 2 1 247.342 1.249 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]CCC[C@@H]1CCO1 ZINC000894863591 583535972 /nfs/dbraw/zinc/53/59/72/583535972.db2.gz LFDUCGDSTSDVHH-CYBMUJFWSA-N 2 1 224.348 1.100 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]CCC[C@@H]1CCO1 ZINC000894863591 583535973 /nfs/dbraw/zinc/53/59/73/583535973.db2.gz LFDUCGDSTSDVHH-CYBMUJFWSA-N 2 1 224.348 1.100 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1SC ZINC000894863839 583536455 /nfs/dbraw/zinc/53/64/55/583536455.db2.gz WJHGYTKQJJJCMY-NEPJUHHUSA-N 2 1 226.389 1.425 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1SC ZINC000894863839 583536456 /nfs/dbraw/zinc/53/64/56/583536456.db2.gz WJHGYTKQJJJCMY-NEPJUHHUSA-N 2 1 226.389 1.425 20 30 BDEDMP C=CCCC[C@@H]([NH3+])c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000900010114 584265278 /nfs/dbraw/zinc/26/52/78/584265278.db2.gz NQMWFCHOWOCXCS-NXEZZACHSA-N 2 1 238.335 1.576 20 30 BDEDMP C=CCCC[C@H]([NH3+])c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000900010119 584265649 /nfs/dbraw/zinc/26/56/49/584265649.db2.gz NQMWFCHOWOCXCS-ZJUUUORDSA-N 2 1 238.335 1.576 20 30 BDEDMP C[C@H]1C[N@@H+](CC2CCC(C#N)CC2)CC[C@@H]1[NH3+] ZINC000903425010 584765389 /nfs/dbraw/zinc/76/53/89/584765389.db2.gz ORAMIFPIRUQXED-ABXWRUBCSA-N 2 1 235.375 1.985 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@H]1CC[NH3+] ZINC000903499440 584780115 /nfs/dbraw/zinc/78/01/15/584780115.db2.gz VIMCGODGVHSKIH-GHMZBOCLSA-N 2 1 233.315 1.568 20 30 BDEDMP N#C[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000903563432 584782574 /nfs/dbraw/zinc/78/25/74/584782574.db2.gz CLVUJRJKTSOTJT-QWHCGFSZSA-N 2 1 221.348 1.612 20 30 BDEDMP N#C[C@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000903564470 584782597 /nfs/dbraw/zinc/78/25/97/584782597.db2.gz WLJDKDQYDZHWOK-GFCCVEGCSA-N 2 1 209.337 1.741 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903871772 584815617 /nfs/dbraw/zinc/81/56/17/584815617.db2.gz VETUXAKVMNJSKO-QWHCGFSZSA-N 2 1 224.348 1.141 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903871772 584815618 /nfs/dbraw/zinc/81/56/18/584815618.db2.gz VETUXAKVMNJSKO-QWHCGFSZSA-N 2 1 224.348 1.141 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCn1cccn1 ZINC000815651975 586690415 /nfs/dbraw/zinc/69/04/15/586690415.db2.gz KQTWTQUSGJMQGU-CQSZACIVSA-N 2 1 248.374 1.206 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCn1cccn1 ZINC000815651975 586690417 /nfs/dbraw/zinc/69/04/17/586690417.db2.gz KQTWTQUSGJMQGU-CQSZACIVSA-N 2 1 248.374 1.206 20 30 BDEDMP C=C(Cl)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000817903636 586836113 /nfs/dbraw/zinc/83/61/13/586836113.db2.gz HCZPVGGRUUPFCH-WPRPVWTQSA-N 2 1 202.729 1.717 20 30 BDEDMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817972211 586859117 /nfs/dbraw/zinc/85/91/17/586859117.db2.gz KCWKHYLKAKKGLJ-QWRGUYRKSA-N 2 1 233.315 1.587 20 30 BDEDMP C[NH+]=C(NC[C@H]1CC[N@H+](C(C)C)C1)NC1CC1 ZINC000848996244 588429006 /nfs/dbraw/zinc/42/90/06/588429006.db2.gz MWVXLLJEFVFVNF-LLVKDONJSA-N 2 1 238.379 1.044 20 30 BDEDMP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCC ZINC000849027750 588441347 /nfs/dbraw/zinc/44/13/47/588441347.db2.gz KGZOHPTYBDGDPF-NSHDSACASA-N 2 1 224.352 1.161 20 30 BDEDMP C=C(C)CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000849035937 588445160 /nfs/dbraw/zinc/44/51/60/588445160.db2.gz IWBMFDRRWDEXOO-GFCCVEGCSA-N 2 1 238.379 1.551 20 30 BDEDMP C[NH+](C)[C@H]1CCCC(=[NH+]n2cccn2)C1 ZINC000863163801 589266084 /nfs/dbraw/zinc/26/60/84/589266084.db2.gz PPXCMQZKBPHLDE-NSHDSACASA-N 2 1 206.293 1.591 20 30 BDEDMP CNC(NC[C@H]1CC[N@H+]1C1CCCCC1)=[NH+]C ZINC000864357421 589355069 /nfs/dbraw/zinc/35/50/69/589355069.db2.gz WQHDLBZGPBXTOP-GFCCVEGCSA-N 2 1 238.379 1.188 20 30 BDEDMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC000866585724 589502175 /nfs/dbraw/zinc/50/21/75/589502175.db2.gz SVOJRYFLNBOPDO-SYQHCUMBSA-N 2 1 233.359 1.705 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC000866585724 589502176 /nfs/dbraw/zinc/50/21/76/589502176.db2.gz SVOJRYFLNBOPDO-SYQHCUMBSA-N 2 1 233.359 1.705 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC000866585724 589502177 /nfs/dbraw/zinc/50/21/77/589502177.db2.gz SVOJRYFLNBOPDO-SYQHCUMBSA-N 2 1 233.359 1.705 20 30 BDEDMP C#CCCCCCC[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000877364701 590319505 /nfs/dbraw/zinc/31/95/05/590319505.db2.gz ZCEMDTZHVSPBHI-AWEZNQCLSA-N 2 1 238.375 1.226 20 30 BDEDMP C#CCCCCCC[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000877364701 590319508 /nfs/dbraw/zinc/31/95/08/590319508.db2.gz ZCEMDTZHVSPBHI-AWEZNQCLSA-N 2 1 238.375 1.226 20 30 BDEDMP C[NH+]1CC[C@H]2C[N@@H+](CCCC#N)CC[C@@H]21 ZINC000879572014 590808485 /nfs/dbraw/zinc/80/84/85/590808485.db2.gz MYDSDLXQEPOAIH-RYUDHWBXSA-N 2 1 207.321 1.316 20 30 BDEDMP C[N@@H+]1CC[C@H]2C[NH+](CCCC#N)CC[C@@H]21 ZINC000879572014 590808474 /nfs/dbraw/zinc/80/84/74/590808474.db2.gz MYDSDLXQEPOAIH-RYUDHWBXSA-N 2 1 207.321 1.316 20 30 BDEDMP C[N@H+]1CC[C@H]2C[NH+](CCCC#N)CC[C@@H]21 ZINC000879572014 590808477 /nfs/dbraw/zinc/80/84/77/590808477.db2.gz MYDSDLXQEPOAIH-RYUDHWBXSA-N 2 1 207.321 1.316 20 30 BDEDMP C[NH+]1CC[C@H]2C[N@H+](CCCC#N)CC[C@@H]21 ZINC000879572014 590808481 /nfs/dbraw/zinc/80/84/81/590808481.db2.gz MYDSDLXQEPOAIH-RYUDHWBXSA-N 2 1 207.321 1.316 20 30 BDEDMP C=C(C)C[C@@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000883392540 591644734 /nfs/dbraw/zinc/64/47/34/591644734.db2.gz JXPOOJASJMAIKN-ZDUSSCGKSA-N 2 1 238.375 1.530 20 30 BDEDMP C[C@H](CNC(=[NH2+])Nc1ccccc1)[N@@H+](C)C1CC1 ZINC000103338704 592578936 /nfs/dbraw/zinc/57/89/36/592578936.db2.gz XAMLNBZUHPTPRV-LLVKDONJSA-N 2 1 246.358 1.896 20 30 BDEDMP C=CC[C@@H]1CC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000934470641 631865125 /nfs/dbraw/zinc/86/51/25/631865125.db2.gz PDDHVDRDENJOES-OLZOCXBDSA-N 2 1 224.348 1.094 20 30 BDEDMP C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000934470641 631865129 /nfs/dbraw/zinc/86/51/29/631865129.db2.gz PDDHVDRDENJOES-OLZOCXBDSA-N 2 1 224.348 1.094 20 30 BDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)C ZINC000170911005 633176122 /nfs/dbraw/zinc/17/61/22/633176122.db2.gz JORSFLCRDMKEOK-NSHDSACASA-N 2 1 240.395 1.421 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]1OC ZINC000328157058 633738415 /nfs/dbraw/zinc/73/84/15/633738415.db2.gz GZQOPQNJBBANDO-QWHCGFSZSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]1OC ZINC000328157058 633738422 /nfs/dbraw/zinc/73/84/22/633738422.db2.gz GZQOPQNJBBANDO-QWHCGFSZSA-N 2 1 224.348 1.099 20 30 BDEDMP C[C@@H](CCC#N)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621816 636827847 /nfs/dbraw/zinc/82/78/47/636827847.db2.gz VKLCWKAUDQRUMJ-MELADBBJSA-N 2 1 235.375 1.810 20 30 BDEDMP C[C@@H](CCC#N)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000897621816 636827849 /nfs/dbraw/zinc/82/78/49/636827849.db2.gz VKLCWKAUDQRUMJ-MELADBBJSA-N 2 1 235.375 1.810 20 30 BDEDMP C[C@@H](CCC#N)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000897621816 636827851 /nfs/dbraw/zinc/82/78/51/636827851.db2.gz VKLCWKAUDQRUMJ-MELADBBJSA-N 2 1 235.375 1.810 20 30 BDEDMP C[NH+]1C[C@]2(C)C[NH+]([C@@H]3CC[C@@H](C#N)C3)C[C@@]2(C)C1 ZINC000931314021 640153141 /nfs/dbraw/zinc/15/31/41/640153141.db2.gz IKCVHPCHFLKZCP-KBUPBQIOSA-N 2 1 247.386 1.952 20 30 BDEDMP C=CCC[C@@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931350920 640168353 /nfs/dbraw/zinc/16/83/53/640168353.db2.gz CRHRDKALAIYIGG-CYBMUJFWSA-N 2 1 240.391 1.730 20 30 BDEDMP C=CC[C@@H]1CC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000934465057 641160830 /nfs/dbraw/zinc/16/08/30/641160830.db2.gz SRSSAMZKPMDKCQ-OLZOCXBDSA-N 2 1 226.364 1.338 20 30 BDEDMP C=CC[C@@H]1CC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000934465057 641160834 /nfs/dbraw/zinc/16/08/34/641160834.db2.gz SRSSAMZKPMDKCQ-OLZOCXBDSA-N 2 1 226.364 1.338 20 30 BDEDMP C=CC[C@@H]1CC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000934465057 641160839 /nfs/dbraw/zinc/16/08/39/641160839.db2.gz SRSSAMZKPMDKCQ-OLZOCXBDSA-N 2 1 226.364 1.338 20 30 BDEDMP C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000934465057 641160840 /nfs/dbraw/zinc/16/08/40/641160840.db2.gz SRSSAMZKPMDKCQ-OLZOCXBDSA-N 2 1 226.364 1.338 20 30 BDEDMP C#C[C@@H]1CCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000934516098 641184920 /nfs/dbraw/zinc/18/49/20/641184920.db2.gz WEXUSMMIHZSRHV-CYBMUJFWSA-N 2 1 231.343 1.840 20 30 BDEDMP C#C[C@@H]1CCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000934516098 641184921 /nfs/dbraw/zinc/18/49/21/641184921.db2.gz WEXUSMMIHZSRHV-CYBMUJFWSA-N 2 1 231.343 1.840 20 30 BDEDMP C[C@H]1CCCC[N@H+]1CCNC(=[NH2+])N(C)C1CC1 ZINC000305816621 642701139 /nfs/dbraw/zinc/70/11/39/642701139.db2.gz MNVVSHVPRLOWCX-NSHDSACASA-N 2 1 238.379 1.270 20 30 BDEDMP N#Cc1ccc(CC[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923481270 644459302 /nfs/dbraw/zinc/45/93/02/644459302.db2.gz OKNDTZVJFDUGRX-OAHLLOKOSA-N 2 1 243.354 1.771 20 30 BDEDMP N#Cc1ccc(CC[N@@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000923481266 644459621 /nfs/dbraw/zinc/45/96/21/644459621.db2.gz OKNDTZVJFDUGRX-HNNXBMFYSA-N 2 1 243.354 1.771 20 30 BDEDMP C=CCCn1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)nn1 ZINC000923481590 644459924 /nfs/dbraw/zinc/45/99/24/644459924.db2.gz SATKDKJYWHLBMQ-GFCCVEGCSA-N 2 1 249.362 1.025 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1C[NH3+] ZINC000923497989 644473257 /nfs/dbraw/zinc/47/32/57/644473257.db2.gz HEQNQZLPFSAJKB-WFASDCNBSA-N 2 1 243.354 1.975 20 30 BDEDMP CCNC(NCC[N@@H+](C)[C@H](C)CC)=[NH+]CC ZINC000303391443 644819956 /nfs/dbraw/zinc/81/99/56/644819956.db2.gz DWKUNPLXXFENOD-LLVKDONJSA-N 2 1 228.384 1.292 20 30 BDEDMP CCN(CC)C(=[NH2+])NCC[N@H+]1CCC[C@H](C)C1 ZINC000303895366 644855919 /nfs/dbraw/zinc/85/59/19/644855919.db2.gz PJROQXURQIOYTK-LBPRGKRZSA-N 2 1 240.395 1.375 20 30 BDEDMP CCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](CCC)C1 ZINC000303895156 644856640 /nfs/dbraw/zinc/85/66/40/644856640.db2.gz SZZZXCNIVWLYQP-NSHDSACASA-N 2 1 226.368 1.033 20 30 BDEDMP CCCCNC(=[NH2+])NCC[N@@H+](C)C(C)C ZINC000303977033 644862276 /nfs/dbraw/zinc/86/22/76/644862276.db2.gz KSICVDVQBQYVPO-UHFFFAOYSA-N 2 1 214.357 1.031 20 30 BDEDMP C=CCN1CCC([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925550356 646327530 /nfs/dbraw/zinc/32/75/30/646327530.db2.gz RGMCHZINELQKLY-ZIAGYGMSSA-N 2 1 249.402 1.496 20 30 BDEDMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000925680362 646407449 /nfs/dbraw/zinc/40/74/49/646407449.db2.gz IRRYWDRQUPPJPO-CYDGBPFRSA-N 2 1 221.348 1.799 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C1[C@H](C)CC[C@H]1C ZINC000926490316 646660349 /nfs/dbraw/zinc/66/03/49/646660349.db2.gz NMYZSEPYIFEBCH-CHWSQXEVSA-N 2 1 222.376 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C1[C@H](C)CC[C@H]1C ZINC000926490316 646660354 /nfs/dbraw/zinc/66/03/54/646660354.db2.gz NMYZSEPYIFEBCH-CHWSQXEVSA-N 2 1 222.376 1.966 20 30 BDEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000710749552 712255620 /nfs/dbraw/zinc/25/56/20/712255620.db2.gz IBLOEDLINPXPQI-LBPRGKRZSA-N 2 1 241.379 1.128 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C1CCC1 ZINC000378849754 712366226 /nfs/dbraw/zinc/36/62/26/712366226.db2.gz DGZFSCKDJYKSTL-GFCCVEGCSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C1CCC1 ZINC000378849754 712366227 /nfs/dbraw/zinc/36/62/27/712366227.db2.gz DGZFSCKDJYKSTL-GFCCVEGCSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[C@H](COC)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000716853488 712578575 /nfs/dbraw/zinc/57/85/75/712578575.db2.gz AGSFFHGJIXVZNT-BFHYXJOUSA-N 2 1 236.359 1.241 20 30 BDEDMP C#CC[C@H](COC)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000716934199 712597303 /nfs/dbraw/zinc/59/73/03/712597303.db2.gz JGJJBBANOQQOQD-FRRDWIJNSA-N 2 1 224.348 1.097 20 30 BDEDMP C#CC[C@H](COC)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000716934199 712597304 /nfs/dbraw/zinc/59/73/04/712597304.db2.gz JGJJBBANOQQOQD-FRRDWIJNSA-N 2 1 224.348 1.097 20 30 BDEDMP C[C@H]1CC(N=NC(N)=[NH2+])C[N@H+]1Cc1ccccc1 ZINC000381908334 710758749 /nfs/dbraw/zinc/75/87/49/710758749.db2.gz JKWKPNSOMXPYBR-JTQLQIEISA-N 2 1 245.330 1.120 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C1Cc2ccccc2C1 ZINC000392787959 711151654 /nfs/dbraw/zinc/15/16/54/711151654.db2.gz KHVTXBGVYGCDOG-UHFFFAOYSA-N 2 1 242.366 1.699 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C1Cc2ccccc2C1 ZINC000392787959 711151657 /nfs/dbraw/zinc/15/16/57/711151657.db2.gz KHVTXBGVYGCDOG-UHFFFAOYSA-N 2 1 242.366 1.699 20 30 BDEDMP C=CCCOCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000383065175 710924010 /nfs/dbraw/zinc/92/40/10/710924010.db2.gz OOCCHSCCDWGFOE-MEBFFEOJSA-N 2 1 236.359 1.165 20 30 BDEDMP C#C[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](CC)CC)C1 ZINC001253187821 969105500 /nfs/dbraw/zinc/10/55/00/969105500.db2.gz JQFTWLHUHGDSHN-KBPBESRZSA-N 2 1 238.375 1.034 20 30 BDEDMP C#C[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](CC)CC)C1 ZINC001253187821 969105511 /nfs/dbraw/zinc/10/55/11/969105511.db2.gz JQFTWLHUHGDSHN-KBPBESRZSA-N 2 1 238.375 1.034 20 30 BDEDMP C=CCOCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000691831761 983815230 /nfs/dbraw/zinc/81/52/30/983815230.db2.gz VVTKQBZGWOKIFL-AGUYFDCRSA-N 2 1 238.375 1.794 20 30 BDEDMP C=CCC[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001252615309 983851166 /nfs/dbraw/zinc/85/11/66/983851166.db2.gz YMJMQXQSOJYJET-XJFOESAGSA-N 2 1 238.375 1.528 20 30 BDEDMP N#CC1CCC([N@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001256973806 971054715 /nfs/dbraw/zinc/05/47/15/971054715.db2.gz ZCPCMKKLBWSXIY-UHFFFAOYSA-N 2 1 244.342 1.824 20 30 BDEDMP N#CC1CCC([N@@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001256973806 971054724 /nfs/dbraw/zinc/05/47/24/971054724.db2.gz ZCPCMKKLBWSXIY-UHFFFAOYSA-N 2 1 244.342 1.824 20 30 BDEDMP C=C[C@](C)(O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246026647 972118392 /nfs/dbraw/zinc/11/83/92/972118392.db2.gz WPGCNMQCZGZYBP-UPJWGTAASA-N 2 1 226.364 1.230 20 30 BDEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[NH2+]1 ZINC000709341635 960525112 /nfs/dbraw/zinc/52/51/12/960525112.db2.gz DYUIVCVTKPOVNY-ZWNOBZJWSA-N 2 1 247.317 1.927 20 30 BDEDMP C[NH+](C)C1CCC([N@H+]2CC[C@H](C#N)C2)CC1 ZINC001168327674 964459536 /nfs/dbraw/zinc/45/95/36/964459536.db2.gz QXWJANIVOIHGKH-PNESKVBLSA-N 2 1 221.348 1.705 20 30 BDEDMP N#Cc1c[nH]c2cc[nH+]c(NC/C=C/C[NH3+])c12 ZINC001160983286 964469521 /nfs/dbraw/zinc/46/95/21/964469521.db2.gz XUIOLKMUSSSMNM-OWOJBTEDSA-N 2 1 227.271 1.361 20 30 BDEDMP CCO[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)C[NH+](C)C ZINC000926959482 964530927 /nfs/dbraw/zinc/53/09/27/964530927.db2.gz JDIVBZKPLHACAX-JHJVBQTASA-N 2 1 239.363 1.235 20 30 BDEDMP C#CCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000161140931 964878140 /nfs/dbraw/zinc/87/81/40/964878140.db2.gz RXHSJYASYJRFIY-KGLIPLIRSA-N 2 1 220.360 1.816 20 30 BDEDMP C#CCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000161140931 964878156 /nfs/dbraw/zinc/87/81/56/964878156.db2.gz RXHSJYASYJRFIY-KGLIPLIRSA-N 2 1 220.360 1.816 20 30 BDEDMP C#CCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000161140931 964878157 /nfs/dbraw/zinc/87/81/57/964878157.db2.gz RXHSJYASYJRFIY-KGLIPLIRSA-N 2 1 220.360 1.816 20 30 BDEDMP Cc1ccc(CC#N)c(N[C@H]2C[C@@](C)([NH3+])C2)[nH+]1 ZINC001162328835 964934442 /nfs/dbraw/zinc/93/44/42/964934442.db2.gz NCXBMBGNUMGMBU-BJHJDKERSA-N 2 1 230.315 1.748 20 30 BDEDMP N#Cc1ccccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205093695 965719156 /nfs/dbraw/zinc/71/91/56/965719156.db2.gz FAHKFIAEDUOKHP-AWEZNQCLSA-N 2 1 229.327 1.871 20 30 BDEDMP N#Cc1ccccc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205093695 965719167 /nfs/dbraw/zinc/71/91/67/965719167.db2.gz FAHKFIAEDUOKHP-AWEZNQCLSA-N 2 1 229.327 1.871 20 30 BDEDMP C#Cc1cccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205146134 967389588 /nfs/dbraw/zinc/38/95/88/967389588.db2.gz QCYWTOBFXRXIHZ-SWLSCSKDSA-N 2 1 228.339 1.695 20 30 BDEDMP C[C@]1([NH3+])CCC[N@H+](Cc2cncc(C#N)c2)CC1 ZINC001205280485 967473096 /nfs/dbraw/zinc/47/30/96/967473096.db2.gz AKUGEZNBTFOGHO-AWEZNQCLSA-N 2 1 244.342 1.657 20 30 BDEDMP C[C@]1([NH3+])CCC[N@@H+](Cc2cncc(C#N)c2)CC1 ZINC001205280485 967473102 /nfs/dbraw/zinc/47/31/02/967473102.db2.gz AKUGEZNBTFOGHO-AWEZNQCLSA-N 2 1 244.342 1.657 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2[nH]ccc2C#N)CCC[C@@H]1C[NH3+] ZINC001206012310 967968236 /nfs/dbraw/zinc/96/82/36/967968236.db2.gz KFFFYYKJUROQHL-NWDGAFQWSA-N 2 1 246.358 1.693 20 30 BDEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206153183 968093969 /nfs/dbraw/zinc/09/39/69/968093969.db2.gz CDGCYCKLXCANHH-KGLIPLIRSA-N 2 1 247.317 1.819 20 30 BDEDMP N#Cc1cccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206153183 968093984 /nfs/dbraw/zinc/09/39/84/968093984.db2.gz CDGCYCKLXCANHH-KGLIPLIRSA-N 2 1 247.317 1.819 20 30 BDEDMP C#Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206183077 968114364 /nfs/dbraw/zinc/11/43/64/968114364.db2.gz FIEBSHJYRKDVTH-HUUCEWRRSA-N 2 1 246.329 1.929 20 30 BDEDMP C#Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206183078 968115790 /nfs/dbraw/zinc/11/57/90/968115790.db2.gz FIEBSHJYRKDVTH-LSDHHAIUSA-N 2 1 246.329 1.929 20 30 BDEDMP C#CCCCN1CCCC[C@@](F)(C[NH3+])C1 ZINC001206336270 968217841 /nfs/dbraw/zinc/21/78/41/968217841.db2.gz KSMTZZRBKWIRAZ-GFCCVEGCSA-N 2 1 212.312 1.553 20 30 BDEDMP C#CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169080982 969403093 /nfs/dbraw/zinc/40/30/93/969403093.db2.gz OKTJXMMXYSKZBW-CLLJXQQHSA-N 2 1 206.333 1.615 20 30 BDEDMP C#CC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169106953 969447826 /nfs/dbraw/zinc/44/78/26/969447826.db2.gz BNDQQIBBZVXQEJ-ZSBIGDGJSA-N 2 1 204.317 1.367 20 30 BDEDMP C#CC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169106953 969447832 /nfs/dbraw/zinc/44/78/32/969447832.db2.gz BNDQQIBBZVXQEJ-ZSBIGDGJSA-N 2 1 204.317 1.367 20 30 BDEDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC001254673730 969780113 /nfs/dbraw/zinc/78/01/13/969780113.db2.gz NWBARHVXAJJCSI-REWJHTLYSA-N 2 1 233.359 1.562 20 30 BDEDMP CC[C@@H](CC#N)[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001255173872 969988699 /nfs/dbraw/zinc/98/86/99/969988699.db2.gz FPOVDULIVCEYGK-LBPRGKRZSA-N 2 1 221.348 1.706 20 30 BDEDMP C[C@@H](CCCC#N)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246544676 972607658 /nfs/dbraw/zinc/60/76/58/972607658.db2.gz YARMCGRXFXSUSR-SDDRHHMPSA-N 2 1 209.337 1.595 20 30 BDEDMP N#CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC001329022778 973432576 /nfs/dbraw/zinc/43/25/76/973432576.db2.gz DWXQHNZIINPLJC-ZIAGYGMSSA-N 2 1 245.326 1.558 20 30 BDEDMP C#CC(C)(C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172243359 974509498 /nfs/dbraw/zinc/50/94/98/974509498.db2.gz HNUVYZAVHLWTQQ-UHFFFAOYSA-N 2 1 238.375 1.489 20 30 BDEDMP C=CCOC1CCC([N@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC001173313235 975224024 /nfs/dbraw/zinc/22/40/24/975224024.db2.gz SBGUKPBSXVUPDF-IYXRBSQSSA-N 2 1 238.375 1.923 20 30 BDEDMP CCCCCCC[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235051893 978963403 /nfs/dbraw/zinc/96/34/03/978963403.db2.gz BQXMNLFYZPWOCO-AWEZNQCLSA-N 2 1 239.407 1.594 20 30 BDEDMP C[N@@H+]1CC[C@H]2C[NH+](CCCC#N)C[C@H]2CC1 ZINC001277943341 979041112 /nfs/dbraw/zinc/04/11/12/979041112.db2.gz TWUIJSLBLLPCLP-BETUJISGSA-N 2 1 221.348 1.564 20 30 BDEDMP C[NH+]1CC[C@H]2C[N@@H+](CCCC#N)C[C@H]2CC1 ZINC001277943341 979041116 /nfs/dbraw/zinc/04/11/16/979041116.db2.gz TWUIJSLBLLPCLP-BETUJISGSA-N 2 1 221.348 1.564 20 30 BDEDMP C[NH+]1CC[C@H]2C[N@H+](CCCC#N)C[C@H]2CC1 ZINC001277943341 979041123 /nfs/dbraw/zinc/04/11/23/979041123.db2.gz TWUIJSLBLLPCLP-BETUJISGSA-N 2 1 221.348 1.564 20 30 BDEDMP C=CCCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205735736 982376188 /nfs/dbraw/zinc/37/61/88/982376188.db2.gz QCMOQKOQAQUIQH-SNVBAGLBSA-N 2 1 218.291 1.869 20 30 BDEDMP C=C[C@](C)(O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001252541767 983807505 /nfs/dbraw/zinc/80/75/05/983807505.db2.gz SLSDCBJXTTYBNW-AWEZNQCLSA-N 2 1 238.375 1.484 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001252602306 983842429 /nfs/dbraw/zinc/84/24/29/983842429.db2.gz OVTHXHSUBPCBMM-HZSPNIEDSA-N 2 1 238.375 1.197 20 30 BDEDMP C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)C[C@H]1CC[NH3+] ZINC001579440285 985923913 /nfs/dbraw/zinc/92/39/13/985923913.db2.gz SYXORUUVYXGQHM-JHJVBQTASA-N 2 1 234.347 1.347 20 30 BDEDMP C=CCC[C@@H](C)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001258719865 986048802 /nfs/dbraw/zinc/04/88/02/986048802.db2.gz LIHFXLSQAQRPEM-GHMZBOCLSA-N 2 1 223.320 1.272 20 30 BDEDMP N#CC1(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC001580038905 986453252 /nfs/dbraw/zinc/45/32/52/986453252.db2.gz VXGXTWCCVZEITK-OLZOCXBDSA-N 2 1 249.358 1.118 20 30 BDEDMP N#CC[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001580047806 986478788 /nfs/dbraw/zinc/47/87/88/986478788.db2.gz PDIPYHPWFSVQCR-CHWSQXEVSA-N 2 1 221.348 1.612 20 30 BDEDMP C=C[C@@](C)(O)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246018138 987302890 /nfs/dbraw/zinc/30/28/90/987302890.db2.gz AGLLFEJLHUABTK-QWHCGFSZSA-N 2 1 226.364 1.374 20 30 BDEDMP C=C[C@](C)(O)C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246025292 987320398 /nfs/dbraw/zinc/32/03/98/987320398.db2.gz VZIWGMFPBSCQPW-NWDGAFQWSA-N 2 1 230.327 1.076 20 30 BDEDMP C=C[C@](C)(O)C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246029800 987332431 /nfs/dbraw/zinc/33/24/31/987332431.db2.gz LWVLPFSLWCEFPM-AGIUHOORSA-N 2 1 226.364 1.230 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1 ZINC001246092652 987402943 /nfs/dbraw/zinc/40/29/43/987402943.db2.gz UBNJPMJKXFNNBZ-IJLUTSLNSA-N 2 1 207.321 1.410 20 30 BDEDMP C[C@H](CCCC#N)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246133385 987481610 /nfs/dbraw/zinc/48/16/10/987481610.db2.gz NPDFOQKFICKCFH-GHMZBOCLSA-N 2 1 207.321 1.410 20 30 BDEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC001246187152 987566463 /nfs/dbraw/zinc/56/64/63/987566463.db2.gz LHXBTVKFOAHKSR-IUODEOHRSA-N 2 1 243.354 1.831 20 30 BDEDMP C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(C#N)cc2)C[NH2+]1 ZINC001246192694 987577662 /nfs/dbraw/zinc/57/76/62/987577662.db2.gz XMYQTDFVXZZZLO-IUODEOHRSA-N 2 1 243.354 1.831 20 30 BDEDMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)CC2)C[NH2+]1 ZINC001246206767 987603013 /nfs/dbraw/zinc/60/30/13/987603013.db2.gz SOICCEKLWMCOQG-CYDGBPFRSA-N 2 1 221.348 1.799 20 30 BDEDMP N#CC12CCC([NH2+][C@@H]3CCC[NH2+]C3)(CC1)CC2 ZINC001246268449 987661484 /nfs/dbraw/zinc/66/14/84/987661484.db2.gz YMZDPHNSJLPTKM-IYXRBSQSSA-N 2 1 233.359 1.945 20 30 BDEDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)CC[NH2+]1 ZINC001246270769 987665734 /nfs/dbraw/zinc/66/57/34/987665734.db2.gz MXSNHTBASKDTDZ-GWCFXTLKSA-N 2 1 247.317 1.927 20 30 BDEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[NH2+]CC1 ZINC001246523932 987874796 /nfs/dbraw/zinc/87/47/96/987874796.db2.gz LNEDIOWNDPGEED-ZDUSSCGKSA-N 2 1 243.354 1.785 20 30 BDEDMP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[NH2+]CC1 ZINC001246523932 987874803 /nfs/dbraw/zinc/87/48/03/987874803.db2.gz LNEDIOWNDPGEED-ZDUSSCGKSA-N 2 1 243.354 1.785 20 30 BDEDMP C[C@@]1([NH3+])CC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001246532814 987891147 /nfs/dbraw/zinc/89/11/47/987891147.db2.gz YJDXQIBLTNZZOR-WXRRBKDZSA-N 2 1 221.348 1.882 20 30 BDEDMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C#N)CC2)CC[NH2+]1 ZINC001246830445 988523924 /nfs/dbraw/zinc/52/39/24/988523924.db2.gz HHTSILZTTMJTMW-FRRDWIJNSA-N 2 1 221.348 1.753 20 30 BDEDMP C#CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C(C)(C)C ZINC001574666850 992888294 /nfs/dbraw/zinc/88/82/94/992888294.db2.gz IMBKSNDWVCJSBH-GFCCVEGCSA-N 2 1 236.359 1.241 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C)CC1 ZINC000309148219 136217818 /nfs/dbraw/zinc/21/78/18/136217818.db2.gz VTEPFWNFMIFFBA-NEPJUHHUSA-N 2 1 208.349 1.882 20 30 BDEDMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602522504 349575922 /nfs/dbraw/zinc/57/59/22/349575922.db2.gz WSXYXHJKYJQDQB-CHWSQXEVSA-N 2 1 223.364 1.858 20 30 BDEDMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602522507 349576057 /nfs/dbraw/zinc/57/60/57/349576057.db2.gz WSXYXHJKYJQDQB-STQMWFEESA-N 2 1 223.364 1.858 20 30 BDEDMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)CC1(CC#N)CC1 ZINC000602776258 349729200 /nfs/dbraw/zinc/72/92/00/349729200.db2.gz BKODXZPRLHHMNV-CYBMUJFWSA-N 2 1 235.375 1.954 20 30 BDEDMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)CC1(CC#N)CC1 ZINC000602776258 349729202 /nfs/dbraw/zinc/72/92/02/349729202.db2.gz BKODXZPRLHHMNV-CYBMUJFWSA-N 2 1 235.375 1.954 20 30 BDEDMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)CC1(CC#N)CC1 ZINC000602776258 349729205 /nfs/dbraw/zinc/72/92/05/349729205.db2.gz BKODXZPRLHHMNV-CYBMUJFWSA-N 2 1 235.375 1.954 20 30 BDEDMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC1(CC#N)CC1 ZINC000602776258 349729211 /nfs/dbraw/zinc/72/92/11/349729211.db2.gz BKODXZPRLHHMNV-CYBMUJFWSA-N 2 1 235.375 1.954 20 30 BDEDMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000309955151 343108983 /nfs/dbraw/zinc/10/89/83/343108983.db2.gz HWLCRCVJULLKIU-XQQFMLRXSA-N 2 1 221.348 1.610 20 30 BDEDMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000127138429 343361053 /nfs/dbraw/zinc/36/10/53/343361053.db2.gz JRDILNPETJYMEW-YPMHNXCESA-N 2 1 229.327 1.727 20 30 BDEDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000127138429 343361055 /nfs/dbraw/zinc/36/10/55/343361055.db2.gz JRDILNPETJYMEW-YPMHNXCESA-N 2 1 229.327 1.727 20 30 BDEDMP C=CC[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000625704141 344049093 /nfs/dbraw/zinc/04/90/93/344049093.db2.gz VXPXNROGQHCABI-ZIAGYGMSSA-N 2 1 240.391 1.586 20 30 BDEDMP C=CC[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000625704141 344049094 /nfs/dbraw/zinc/04/90/94/344049094.db2.gz VXPXNROGQHCABI-ZIAGYGMSSA-N 2 1 240.391 1.586 20 30 BDEDMP C=CC[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000625704141 344049095 /nfs/dbraw/zinc/04/90/95/344049095.db2.gz VXPXNROGQHCABI-ZIAGYGMSSA-N 2 1 240.391 1.586 20 30 BDEDMP C[C@@H]1C[C@@H](NC[C@@H](C#N)CCC#N)CC[N@H+]1C ZINC000583376650 344852299 /nfs/dbraw/zinc/85/22/99/344852299.db2.gz YQHNLSOJJRTIIG-UPJWGTAASA-N 2 1 234.347 1.502 20 30 BDEDMP C[C@@H]1C[C@H](NC[C@@H](C#N)CCC#N)CC[N@H+]1C ZINC000583376649 344852316 /nfs/dbraw/zinc/85/23/16/344852316.db2.gz YQHNLSOJJRTIIG-JHJVBQTASA-N 2 1 234.347 1.502 20 30 BDEDMP C=C(C)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000119640670 347298439 /nfs/dbraw/zinc/29/84/39/347298439.db2.gz FOPUIEZBCSFFKN-UHFFFAOYSA-N 2 1 205.305 1.813 20 30 BDEDMP C=C(C)COCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310278417 347254281 /nfs/dbraw/zinc/25/42/81/347254281.db2.gz OYTIWHRTHOLTQQ-UHFFFAOYSA-N 2 1 238.375 1.796 20 30 BDEDMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(C)(C)C#N)C2)C1 ZINC000310311612 347261332 /nfs/dbraw/zinc/26/13/32/347261332.db2.gz DXEWZTSTOKNKSV-CQSZACIVSA-N 2 1 235.375 1.954 20 30 BDEDMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(C)(C)C#N)C2)C1 ZINC000310311612 347261335 /nfs/dbraw/zinc/26/13/35/347261335.db2.gz DXEWZTSTOKNKSV-CQSZACIVSA-N 2 1 235.375 1.954 20 30 BDEDMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(C)(C)C#N)C2)C1 ZINC000310311612 347261338 /nfs/dbraw/zinc/26/13/38/347261338.db2.gz DXEWZTSTOKNKSV-CQSZACIVSA-N 2 1 235.375 1.954 20 30 BDEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 ZINC000591578048 347677817 /nfs/dbraw/zinc/67/78/17/347677817.db2.gz PLMUFMGGDBRJMG-AGIUHOORSA-N 2 1 221.348 1.800 20 30 BDEDMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000591581571 347678444 /nfs/dbraw/zinc/67/84/44/347678444.db2.gz ZVGCNWTVKFPRLP-NOZJJQNGSA-N 2 1 215.300 1.482 20 30 BDEDMP C[C@]1(C#N)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000595888315 348389157 /nfs/dbraw/zinc/38/91/57/348389157.db2.gz XLEKSHTUXVKYMW-GFCCVEGCSA-N 2 1 207.321 1.222 20 30 BDEDMP C[C@@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]1 ZINC000596652585 348607300 /nfs/dbraw/zinc/60/73/00/348607300.db2.gz VCWBLUUMJOKTHC-DOMZBBRYSA-N 2 1 243.354 1.831 20 30 BDEDMP C=CCC[C@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000321026736 323374944 /nfs/dbraw/zinc/37/49/44/323374944.db2.gz PKRVOLZMYCDZPP-CYBMUJFWSA-N 2 1 238.375 1.530 20 30 BDEDMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000618578456 350678770 /nfs/dbraw/zinc/67/87/70/350678770.db2.gz AOWHNWSHRPMJTP-NEPJUHHUSA-N 2 1 232.331 1.635 20 30 BDEDMP CC#CCN(C)CCC[N@@H+](C)CC#CC ZINC000293067584 352338362 /nfs/dbraw/zinc/33/83/62/352338362.db2.gz IVBCIENHVALESC-UHFFFAOYSA-N 2 1 206.333 1.287 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H](C)CC ZINC000328234437 324273042 /nfs/dbraw/zinc/27/30/42/324273042.db2.gz FFIVSWJDQDWLNM-OLZOCXBDSA-N 2 1 210.365 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@H](C)CC ZINC000328234437 324273047 /nfs/dbraw/zinc/27/30/47/324273047.db2.gz FFIVSWJDQDWLNM-OLZOCXBDSA-N 2 1 210.365 1.966 20 30 BDEDMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)CCC#N)C1 ZINC000351410855 355986677 /nfs/dbraw/zinc/98/66/77/355986677.db2.gz KCXUPQXHUHSKLA-STQMWFEESA-N 2 1 223.364 1.952 20 30 BDEDMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)CCC#N)C1 ZINC000351410855 355986679 /nfs/dbraw/zinc/98/66/79/355986679.db2.gz KCXUPQXHUHSKLA-STQMWFEESA-N 2 1 223.364 1.952 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000351410855 355986682 /nfs/dbraw/zinc/98/66/82/355986682.db2.gz KCXUPQXHUHSKLA-STQMWFEESA-N 2 1 223.364 1.952 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)CCC#N)C1 ZINC000351410855 355986684 /nfs/dbraw/zinc/98/66/84/355986684.db2.gz KCXUPQXHUHSKLA-STQMWFEESA-N 2 1 223.364 1.952 20 30 BDEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000167425309 355993206 /nfs/dbraw/zinc/99/32/06/355993206.db2.gz MXUBKGMVNHYYQD-SRVKXCTJSA-N 2 1 214.353 1.099 20 30 BDEDMP C=CC[N@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420314508 192211994 /nfs/dbraw/zinc/21/19/94/192211994.db2.gz LCYIDMMAAUAIAG-CYBMUJFWSA-N 2 1 234.343 1.855 20 30 BDEDMP Cn1c[nH+]cc1CCC[NH+]1CCC(CC#N)CC1 ZINC000397141649 357504769 /nfs/dbraw/zinc/50/47/69/357504769.db2.gz DJUHDPYOKAQBIG-UHFFFAOYSA-N 2 1 246.358 1.978 20 30 BDEDMP C=CC[N@H+](CCOC)CC[C@@H]1CCC[NH+]1C ZINC000189424191 357640801 /nfs/dbraw/zinc/64/08/01/357640801.db2.gz YUPMYDZKKBCDJT-ZDUSSCGKSA-N 2 1 226.364 1.605 20 30 BDEDMP C=CC[N@@H+](CCOC)CC[C@@H]1CCC[NH+]1C ZINC000189424191 357640803 /nfs/dbraw/zinc/64/08/03/357640803.db2.gz YUPMYDZKKBCDJT-ZDUSSCGKSA-N 2 1 226.364 1.605 20 30 BDEDMP C=CC[NH+](CCOC)CC[C@@H]1CCC[N@@H+]1C ZINC000189424191 357640807 /nfs/dbraw/zinc/64/08/07/357640807.db2.gz YUPMYDZKKBCDJT-ZDUSSCGKSA-N 2 1 226.364 1.605 20 30 BDEDMP C=CC[NH+](CCOC)CC[C@@H]1CCC[N@H+]1C ZINC000189424191 357640811 /nfs/dbraw/zinc/64/08/11/357640811.db2.gz YUPMYDZKKBCDJT-ZDUSSCGKSA-N 2 1 226.364 1.605 20 30 BDEDMP C=CCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000378245987 134245667 /nfs/dbraw/zinc/24/56/67/134245667.db2.gz FDZVZKJVDVUTGX-MGPQQGTHSA-N 2 1 238.375 1.746 20 30 BDEDMP CC#CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134939287 358811572 /nfs/dbraw/zinc/81/15/72/358811572.db2.gz WKZCYZHVMFIRCF-HIFRSBDPSA-N 2 1 232.371 1.958 20 30 BDEDMP CC#CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134939287 358811576 /nfs/dbraw/zinc/81/15/76/358811576.db2.gz WKZCYZHVMFIRCF-HIFRSBDPSA-N 2 1 232.371 1.958 20 30 BDEDMP CC#CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134939287 358811580 /nfs/dbraw/zinc/81/15/80/358811580.db2.gz WKZCYZHVMFIRCF-HIFRSBDPSA-N 2 1 232.371 1.958 20 30 BDEDMP CC#CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134939287 358811584 /nfs/dbraw/zinc/81/15/84/358811584.db2.gz WKZCYZHVMFIRCF-HIFRSBDPSA-N 2 1 232.371 1.958 20 30 BDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246990955 359181636 /nfs/dbraw/zinc/18/16/36/359181636.db2.gz WKZCYZHVMFIRCF-ZFWWWQNUSA-N 2 1 232.371 1.958 20 30 BDEDMP CC#CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246990955 359181638 /nfs/dbraw/zinc/18/16/38/359181638.db2.gz WKZCYZHVMFIRCF-ZFWWWQNUSA-N 2 1 232.371 1.958 20 30 BDEDMP CC#CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246990955 359181641 /nfs/dbraw/zinc/18/16/41/359181641.db2.gz WKZCYZHVMFIRCF-ZFWWWQNUSA-N 2 1 232.371 1.958 20 30 BDEDMP C=CCC[C@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000309564919 491151672 /nfs/dbraw/zinc/15/16/72/491151672.db2.gz LZGDORUWHDJUDF-LBPRGKRZSA-N 2 1 226.364 1.387 20 30 BDEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000435736117 201285714 /nfs/dbraw/zinc/28/57/14/201285714.db2.gz UCUJBNOMQXQFKM-JSGCOSHPSA-N 2 1 238.375 1.651 20 30 BDEDMP C=CCC[C@@H](CCC)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154389794 201274708 /nfs/dbraw/zinc/27/47/08/201274708.db2.gz JUWVLXIIKUFAJQ-CHWSQXEVSA-N 2 1 228.380 1.633 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CC(C(C)C)C1 ZINC000381979245 367475723 /nfs/dbraw/zinc/47/57/23/367475723.db2.gz DVECJHKOQDXUQR-UHFFFAOYSA-N 2 1 222.376 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C1CC(C(C)C)C1 ZINC000381979245 367475725 /nfs/dbraw/zinc/47/57/25/367475725.db2.gz DVECJHKOQDXUQR-UHFFFAOYSA-N 2 1 222.376 1.966 20 30 BDEDMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000600769099 369562553 /nfs/dbraw/zinc/56/25/53/369562553.db2.gz NUWAOHUMWUQWOJ-WDEREUQCSA-N 2 1 233.315 1.710 20 30 BDEDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000600769099 369562555 /nfs/dbraw/zinc/56/25/55/369562555.db2.gz NUWAOHUMWUQWOJ-WDEREUQCSA-N 2 1 233.315 1.710 20 30 BDEDMP C[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C[C@H]1C[NH3+] ZINC000600769810 369563740 /nfs/dbraw/zinc/56/37/40/369563740.db2.gz RNBSFNJEVVRCHG-WDEREUQCSA-N 2 1 233.315 1.568 20 30 BDEDMP C[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C[C@H]1C[NH3+] ZINC000600769810 369563744 /nfs/dbraw/zinc/56/37/44/369563744.db2.gz RNBSFNJEVVRCHG-WDEREUQCSA-N 2 1 233.315 1.568 20 30 BDEDMP C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C[NH3+] ZINC000253202029 370163250 /nfs/dbraw/zinc/16/32/50/370163250.db2.gz YNVBCCXMCHUDAC-SWLSCSKDSA-N 2 1 243.354 1.975 20 30 BDEDMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000131509736 371612580 /nfs/dbraw/zinc/61/25/80/371612580.db2.gz LOTLOAKMHWZMTE-RISCZKNCSA-N 2 1 229.327 1.870 20 30 BDEDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000131509736 371612585 /nfs/dbraw/zinc/61/25/85/371612585.db2.gz LOTLOAKMHWZMTE-RISCZKNCSA-N 2 1 229.327 1.870 20 30 BDEDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C#N)cc1 ZINC000216029313 371683779 /nfs/dbraw/zinc/68/37/79/371683779.db2.gz NSRQIXAMAOIUNG-FZMZJTMJSA-N 2 1 229.327 1.727 20 30 BDEDMP C=CC[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363592999 384636760 /nfs/dbraw/zinc/63/67/60/384636760.db2.gz LPSDMWRQWPVAPJ-UHFFFAOYSA-N 2 1 238.375 1.748 20 30 BDEDMP COc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1C#N ZINC000414884465 384882956 /nfs/dbraw/zinc/88/29/56/384882956.db2.gz FGQWTBIBBUTNFW-ZDUSSCGKSA-N 2 1 245.326 1.394 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000491461313 384914738 /nfs/dbraw/zinc/91/47/38/384914738.db2.gz CSYPULXPGTWCDA-WDNDVIMCSA-N 2 1 238.375 1.487 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000491461313 384914743 /nfs/dbraw/zinc/91/47/43/384914743.db2.gz CSYPULXPGTWCDA-WDNDVIMCSA-N 2 1 238.375 1.487 20 30 BDEDMP C=CCSCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180457558 385391559 /nfs/dbraw/zinc/39/15/59/385391559.db2.gz ZQIXQBWANZPUMD-VXGBXAGGSA-N 2 1 228.405 1.978 20 30 BDEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCC#N ZINC000309110991 385425659 /nfs/dbraw/zinc/42/56/59/385425659.db2.gz JQZWAKQOSDVAKN-UTUOFQBUSA-N 2 1 209.337 1.608 20 30 BDEDMP C=CCCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000181767558 385415269 /nfs/dbraw/zinc/41/52/69/385415269.db2.gz GLUDVESBFDFCAT-QWHCGFSZSA-N 2 1 226.364 1.651 20 30 BDEDMP C[N@H+]1CC[C@H]([NH2+]CCCC#N)[C@H]2CCC[C@H]21 ZINC000309597399 385724325 /nfs/dbraw/zinc/72/43/25/385724325.db2.gz WPJISQLDHCPSNC-FRRDWIJNSA-N 2 1 221.348 1.753 20 30 BDEDMP C=C(CC)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766899 387070731 /nfs/dbraw/zinc/07/07/31/387070731.db2.gz PPVRDGPVJKKFKT-CYBMUJFWSA-N 2 1 226.364 1.341 20 30 BDEDMP C=C(CC)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766899 387070735 /nfs/dbraw/zinc/07/07/35/387070735.db2.gz PPVRDGPVJKKFKT-CYBMUJFWSA-N 2 1 226.364 1.341 20 30 BDEDMP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000423391538 387275300 /nfs/dbraw/zinc/27/53/00/387275300.db2.gz XAALMEUJIDKRON-GRYCIOLGSA-N 2 1 209.337 1.656 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1C ZINC000392791425 387287215 /nfs/dbraw/zinc/28/72/15/387287215.db2.gz MMJYZVKTFCLOTN-CHWSQXEVSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1C ZINC000392791425 387287219 /nfs/dbraw/zinc/28/72/19/387287219.db2.gz MMJYZVKTFCLOTN-CHWSQXEVSA-N 2 1 208.349 1.720 20 30 BDEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423514084 387348506 /nfs/dbraw/zinc/34/85/06/387348506.db2.gz LZALHQFFFRMLQN-YNEHKIRRSA-N 2 1 225.380 1.080 20 30 BDEDMP C[C@@H]1C[C@H]([NH+](C)CCCC#N)CC[N@@H+]1C ZINC000123698035 387591401 /nfs/dbraw/zinc/59/14/01/387591401.db2.gz MOPGPOJTLJODPQ-VXGBXAGGSA-N 2 1 209.337 1.705 20 30 BDEDMP C[C@@H]1C[C@H]([NH+](C)CCCC#N)CC[N@H+]1C ZINC000123698035 387591404 /nfs/dbraw/zinc/59/14/04/387591404.db2.gz MOPGPOJTLJODPQ-VXGBXAGGSA-N 2 1 209.337 1.705 20 30 BDEDMP C[C@@H]1C[C@H]([N@H+](C)CCCC#N)CC[NH+]1C ZINC000123698035 387591406 /nfs/dbraw/zinc/59/14/06/387591406.db2.gz MOPGPOJTLJODPQ-VXGBXAGGSA-N 2 1 209.337 1.705 20 30 BDEDMP C[C@@H]1C[C@H]([N@@H+](C)CCCC#N)CC[NH+]1C ZINC000123698035 387591410 /nfs/dbraw/zinc/59/14/10/387591410.db2.gz MOPGPOJTLJODPQ-VXGBXAGGSA-N 2 1 209.337 1.705 20 30 BDEDMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442724548 387823063 /nfs/dbraw/zinc/82/30/63/387823063.db2.gz ZPLBIIBCNKINFF-STQMWFEESA-N 2 1 239.363 1.237 20 30 BDEDMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442724546 387830479 /nfs/dbraw/zinc/83/04/79/387830479.db2.gz ZPLBIIBCNKINFF-OLZOCXBDSA-N 2 1 239.363 1.237 20 30 BDEDMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCC#N ZINC000423026902 387844217 /nfs/dbraw/zinc/84/42/17/387844217.db2.gz CNYDWQJTBAYUMB-TZMCWYRMSA-N 2 1 231.343 1.838 20 30 BDEDMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000423123234 387902115 /nfs/dbraw/zinc/90/21/15/387902115.db2.gz KSJHAMHXQJFJEM-VXGBXAGGSA-N 2 1 223.364 1.904 20 30 BDEDMP C#CC[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000490763922 388251265 /nfs/dbraw/zinc/25/12/65/388251265.db2.gz YGQLOYAXVRAZBL-ZDUSSCGKSA-N 2 1 224.348 1.052 20 30 BDEDMP C#C[C@@H](C)N(C)CCC[N@@H+](C)[C@H](C)C#C ZINC000491713271 388313990 /nfs/dbraw/zinc/31/39/90/388313990.db2.gz ZSZPVQXZUSSRFR-CHWSQXEVSA-N 2 1 206.333 1.284 20 30 BDEDMP C#CC(C)(C)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000491209868 388277176 /nfs/dbraw/zinc/27/71/76/388277176.db2.gz MXPFGGIXDSGOKT-LBPRGKRZSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CC(C)(C)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000491209868 388277177 /nfs/dbraw/zinc/27/71/77/388277177.db2.gz MXPFGGIXDSGOKT-LBPRGKRZSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CC(C)(C)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000491209868 388277179 /nfs/dbraw/zinc/27/71/79/388277179.db2.gz MXPFGGIXDSGOKT-LBPRGKRZSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CC(C)(C)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000491209868 388277181 /nfs/dbraw/zinc/27/71/81/388277181.db2.gz MXPFGGIXDSGOKT-LBPRGKRZSA-N 2 1 208.349 1.814 20 30 BDEDMP C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000649287101 388543174 /nfs/dbraw/zinc/54/31/74/388543174.db2.gz BYTBOFXRIXTACY-QWHCGFSZSA-N 2 1 235.331 1.457 20 30 BDEDMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000338021359 135028377 /nfs/dbraw/zinc/02/83/77/135028377.db2.gz TUNDAVWGKFZWJV-OLZOCXBDSA-N 2 1 232.331 1.864 20 30 BDEDMP C=CCOCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000339004227 135051544 /nfs/dbraw/zinc/05/15/44/135051544.db2.gz RTCUDBQJMJXLFL-CQSZACIVSA-N 2 1 238.375 1.607 20 30 BDEDMP C=CCOCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000339005848 135051827 /nfs/dbraw/zinc/05/18/27/135051827.db2.gz DFDVKYBWLOXHHN-AWEZNQCLSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CCOCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000339005848 135051828 /nfs/dbraw/zinc/05/18/28/135051828.db2.gz DFDVKYBWLOXHHN-AWEZNQCLSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CCOCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000339005848 135051830 /nfs/dbraw/zinc/05/18/30/135051830.db2.gz DFDVKYBWLOXHHN-AWEZNQCLSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CCOCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000339005848 135051832 /nfs/dbraw/zinc/05/18/32/135051832.db2.gz DFDVKYBWLOXHHN-AWEZNQCLSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CCOCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000339038517 135053295 /nfs/dbraw/zinc/05/32/95/135053295.db2.gz XHRDJBDMAUKWPP-UONOGXRCSA-N 2 1 240.391 1.851 20 30 BDEDMP C=CCOCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000339038517 135053296 /nfs/dbraw/zinc/05/32/96/135053296.db2.gz XHRDJBDMAUKWPP-UONOGXRCSA-N 2 1 240.391 1.851 20 30 BDEDMP C[NH+](C)[C@@H]1CCC[N@H+](CCOCCC#N)CC1 ZINC000339126224 135060075 /nfs/dbraw/zinc/06/00/75/135060075.db2.gz URNVJCWMXLENEW-CYBMUJFWSA-N 2 1 239.363 1.333 20 30 BDEDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOCCC#N)CC1 ZINC000339126224 135060077 /nfs/dbraw/zinc/06/00/77/135060077.db2.gz URNVJCWMXLENEW-CYBMUJFWSA-N 2 1 239.363 1.333 20 30 BDEDMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CC[C@@H](C#N)C3)C2)C1 ZINC000339211204 135066375 /nfs/dbraw/zinc/06/63/75/135066375.db2.gz FZNZLXIFWWRCKP-MCIONIFRSA-N 2 1 233.359 1.706 20 30 BDEDMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C2)C1 ZINC000339211204 135066376 /nfs/dbraw/zinc/06/63/76/135066376.db2.gz FZNZLXIFWWRCKP-MCIONIFRSA-N 2 1 233.359 1.706 20 30 BDEDMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C2)C1 ZINC000339211204 135066377 /nfs/dbraw/zinc/06/63/77/135066377.db2.gz FZNZLXIFWWRCKP-MCIONIFRSA-N 2 1 233.359 1.706 20 30 BDEDMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000261540740 135179722 /nfs/dbraw/zinc/17/97/22/135179722.db2.gz ALFCVTVDBRSZPR-AWEZNQCLSA-N 2 1 229.327 1.729 20 30 BDEDMP Cc1[nH+]ccn1CCNC(=[NH2+])N1CCCCCC1 ZINC000262552636 135305238 /nfs/dbraw/zinc/30/52/38/135305238.db2.gz UCZIYDNFUBYDDS-UHFFFAOYSA-N 2 1 249.362 1.382 20 30 BDEDMP C[C@@H](CNC1=[NH+]C[C@@H](C)N1)[N@H+]1CCCC[C@H]1C ZINC000262625771 135309393 /nfs/dbraw/zinc/30/93/93/135309393.db2.gz DJXXRDHKSLSYAU-UTUOFQBUSA-N 2 1 238.379 1.187 20 30 BDEDMP C[C@H](CNC1=[NH+]CCN1C)[N@H+]1CCCC[C@@H]1C ZINC000262634683 135310340 /nfs/dbraw/zinc/31/03/40/135310340.db2.gz GMSHOJZENAQUIZ-NWDGAFQWSA-N 2 1 238.379 1.140 20 30 BDEDMP CN1CC[NH+]=C1NCC[N@@H+](C)C1CCCCC1 ZINC000262685711 135313699 /nfs/dbraw/zinc/31/36/99/135313699.db2.gz YIVPYIMTEBHXJH-UHFFFAOYSA-N 2 1 238.379 1.142 20 30 BDEDMP CC#CC[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000174950040 397766671 /nfs/dbraw/zinc/76/66/71/397766671.db2.gz UQRUGPJWCQQLLS-ZDUSSCGKSA-N 2 1 208.349 1.673 20 30 BDEDMP CC#CC[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000174950040 397766679 /nfs/dbraw/zinc/76/66/79/397766679.db2.gz UQRUGPJWCQQLLS-ZDUSSCGKSA-N 2 1 208.349 1.673 20 30 BDEDMP CC#CC[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000174950040 397766684 /nfs/dbraw/zinc/76/66/84/397766684.db2.gz UQRUGPJWCQQLLS-ZDUSSCGKSA-N 2 1 208.349 1.673 20 30 BDEDMP CC#CC[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000174950040 397766691 /nfs/dbraw/zinc/76/66/91/397766691.db2.gz UQRUGPJWCQQLLS-ZDUSSCGKSA-N 2 1 208.349 1.673 20 30 BDEDMP C=C(C)C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000653609651 411438913 /nfs/dbraw/zinc/43/89/13/411438913.db2.gz XRYGBDDVXGOAGP-UHFFFAOYSA-N 2 1 207.321 1.861 20 30 BDEDMP C=C(C)C[N@H+](C)CCCc1c[nH+]cn1C ZINC000653609651 411438914 /nfs/dbraw/zinc/43/89/14/411438914.db2.gz XRYGBDDVXGOAGP-UHFFFAOYSA-N 2 1 207.321 1.861 20 30 BDEDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000189587510 170015688 /nfs/dbraw/zinc/01/56/88/170015688.db2.gz QQKKJHBJZCLREF-GFCCVEGCSA-N 2 1 246.358 1.328 20 30 BDEDMP C=CC[N@H+](CC[C@H]1CC[NH2+]C1)[C@H](C)COC ZINC000662298939 412086515 /nfs/dbraw/zinc/08/65/15/412086515.db2.gz HQMVJZKMAZTFPD-CHWSQXEVSA-N 2 1 226.364 1.509 20 30 BDEDMP CCC#C[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000680866217 487661477 /nfs/dbraw/zinc/66/14/77/487661477.db2.gz XUCPXSMDEAYKLR-CHWSQXEVSA-N 2 1 208.349 1.672 20 30 BDEDMP CCC#C[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000680866217 487661480 /nfs/dbraw/zinc/66/14/80/487661480.db2.gz XUCPXSMDEAYKLR-CHWSQXEVSA-N 2 1 208.349 1.672 20 30 BDEDMP C=CCOCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756201 487662757 /nfs/dbraw/zinc/66/27/57/487662757.db2.gz RMHHVNODZDUJJI-UHFFFAOYSA-N 2 1 238.375 1.607 20 30 BDEDMP C=C[C@@H]1CCCCN1C[C@@H](O)C[N@H+](C)CC ZINC000566412109 326041053 /nfs/dbraw/zinc/04/10/53/326041053.db2.gz BZPOLOWFWHDQCP-OLZOCXBDSA-N 2 1 226.364 1.340 20 30 BDEDMP C=C[C@@H]1CCCC[N@H+]1C[C@@H](O)CN(C)CC ZINC000566412109 326041056 /nfs/dbraw/zinc/04/10/56/326041056.db2.gz BZPOLOWFWHDQCP-OLZOCXBDSA-N 2 1 226.364 1.340 20 30 BDEDMP C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)CN(C)CC ZINC000566412109 326041057 /nfs/dbraw/zinc/04/10/57/326041057.db2.gz BZPOLOWFWHDQCP-OLZOCXBDSA-N 2 1 226.364 1.340 20 30 BDEDMP C=CC[NH+]1CCC(N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000568249325 326334657 /nfs/dbraw/zinc/33/46/57/326334657.db2.gz NNYMWAKFWJKPSV-JSGCOSHPSA-N 2 1 237.391 1.496 20 30 BDEDMP C=CCOCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000680542909 487614382 /nfs/dbraw/zinc/61/43/82/487614382.db2.gz KYLIIPYMAQFMDF-UHFFFAOYSA-N 2 1 235.331 1.440 20 30 BDEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000223286161 534357901 /nfs/dbraw/zinc/35/79/01/534357901.db2.gz MXUBKGMVNHYYQD-SDDRHHMPSA-N 2 1 214.353 1.099 20 30 BDEDMP C=CC[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367618334 534819393 /nfs/dbraw/zinc/81/93/93/534819393.db2.gz OVLJHUDCPYKALP-AWEZNQCLSA-N 2 1 237.391 1.273 20 30 BDEDMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309611598 535591051 /nfs/dbraw/zinc/59/10/51/535591051.db2.gz BMIIXOIJBOYMMD-YNEHKIRRSA-N 2 1 223.364 1.999 20 30 BDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(C)CC1 ZINC000262462497 535597040 /nfs/dbraw/zinc/59/70/40/535597040.db2.gz MTPHUVPYBAIVLN-NSHDSACASA-N 2 1 238.379 1.175 20 30 BDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCC1 ZINC000262335168 535597996 /nfs/dbraw/zinc/59/79/96/535597996.db2.gz SBDJWOROZYPYEN-LBPRGKRZSA-N 2 1 238.379 1.175 20 30 BDEDMP C[C@H]1CN=C(N[NH+]=Cc2ccc(N(C)C)cc2)N1 ZINC000779806022 582736844 /nfs/dbraw/zinc/73/68/44/582736844.db2.gz YOAPUPWWTLSRIG-JTQLQIEISA-N 2 1 245.330 1.024 20 30 BDEDMP CC(C)CNC(=[NH2+])NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000104192940 582792386 /nfs/dbraw/zinc/79/23/86/582792386.db2.gz GDNZULAXBPLCER-SNVBAGLBSA-N 2 1 226.368 1.029 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H]1SC ZINC000894863842 583536146 /nfs/dbraw/zinc/53/61/46/583536146.db2.gz WJHGYTKQJJJCMY-VXGBXAGGSA-N 2 1 226.389 1.425 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]1SC ZINC000894863842 583536149 /nfs/dbraw/zinc/53/61/49/583536149.db2.gz WJHGYTKQJJJCMY-VXGBXAGGSA-N 2 1 226.389 1.425 20 30 BDEDMP CCO[C@@H](C[NH2+]C[C@@H](C)CCC#N)C[NH+](C)C ZINC000896880318 583845497 /nfs/dbraw/zinc/84/54/97/583845497.db2.gz UIWJVGKCSRHAHI-STQMWFEESA-N 2 1 241.379 1.483 20 30 BDEDMP N#CC1CCC(C[N@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC000903425092 584765053 /nfs/dbraw/zinc/76/50/53/584765053.db2.gz RNMIKSBUNWFBJV-WXRRBKDZSA-N 2 1 221.348 1.739 20 30 BDEDMP N#CC1CCC(C[N@@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC000903425092 584765055 /nfs/dbraw/zinc/76/50/55/584765055.db2.gz RNMIKSBUNWFBJV-WXRRBKDZSA-N 2 1 221.348 1.739 20 30 BDEDMP C[N@@H+](CCOCC[NH3+])CC1CCC(C#N)CC1 ZINC000903474549 584776782 /nfs/dbraw/zinc/77/67/82/584776782.db2.gz OMAZDIABHXXVLR-UHFFFAOYSA-N 2 1 239.363 1.223 20 30 BDEDMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CC1CCC(C#N)CC1 ZINC000903476921 584777530 /nfs/dbraw/zinc/77/75/30/584777530.db2.gz NPLLZMIVMHJPGM-YWPUVAFDSA-N 2 1 221.348 1.738 20 30 BDEDMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CC1CCC(C#N)CC1 ZINC000903476921 584777532 /nfs/dbraw/zinc/77/75/32/584777532.db2.gz NPLLZMIVMHJPGM-YWPUVAFDSA-N 2 1 221.348 1.738 20 30 BDEDMP C#CCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000766902354 585510488 /nfs/dbraw/zinc/51/04/88/585510488.db2.gz GRELTRFRJBGYBC-QWHCGFSZSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000766902354 585510489 /nfs/dbraw/zinc/51/04/89/585510489.db2.gz GRELTRFRJBGYBC-QWHCGFSZSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000766902354 585510490 /nfs/dbraw/zinc/51/04/90/585510490.db2.gz GRELTRFRJBGYBC-QWHCGFSZSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000766902354 585510491 /nfs/dbraw/zinc/51/04/91/585510491.db2.gz GRELTRFRJBGYBC-QWHCGFSZSA-N 2 1 208.349 1.814 20 30 BDEDMP C=CC[C@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000774271304 585655576 /nfs/dbraw/zinc/65/55/76/585655576.db2.gz IQCBGJMMQQGVSJ-FUDCBSFHSA-N 2 1 238.375 1.386 20 30 BDEDMP C[C@@H](C#N)OCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000801952770 586283658 /nfs/dbraw/zinc/28/36/58/586283658.db2.gz DOSFEGJGLRTOQS-ZDUSSCGKSA-N 2 1 239.363 1.333 20 30 BDEDMP C[C@@H](C#N)OCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000801952770 586283660 /nfs/dbraw/zinc/28/36/60/586283660.db2.gz DOSFEGJGLRTOQS-ZDUSSCGKSA-N 2 1 239.363 1.333 20 30 BDEDMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817966547 586854687 /nfs/dbraw/zinc/85/46/87/586854687.db2.gz PXNKQAHXIMGBKM-MNOVXSKESA-N 2 1 233.315 1.587 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850470912 588547922 /nfs/dbraw/zinc/54/79/22/588547922.db2.gz ISYFPDVJCOSUFM-ZDUSSCGKSA-N 2 1 236.359 1.243 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850470912 588547924 /nfs/dbraw/zinc/54/79/24/588547924.db2.gz ISYFPDVJCOSUFM-ZDUSSCGKSA-N 2 1 236.359 1.243 20 30 BDEDMP C#CCOCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000851798108 588629682 /nfs/dbraw/zinc/62/96/82/588629682.db2.gz YDNYRVFNRBQTFM-CHWSQXEVSA-N 2 1 224.348 1.051 20 30 BDEDMP C#CCOCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000851798108 588629683 /nfs/dbraw/zinc/62/96/83/588629683.db2.gz YDNYRVFNRBQTFM-CHWSQXEVSA-N 2 1 224.348 1.051 20 30 BDEDMP C#CCOCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000851798108 588629684 /nfs/dbraw/zinc/62/96/84/588629684.db2.gz YDNYRVFNRBQTFM-CHWSQXEVSA-N 2 1 224.348 1.051 20 30 BDEDMP C#CCOCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000851798108 588629685 /nfs/dbraw/zinc/62/96/85/588629685.db2.gz YDNYRVFNRBQTFM-CHWSQXEVSA-N 2 1 224.348 1.051 20 30 BDEDMP C#CCOCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000851985840 588651991 /nfs/dbraw/zinc/65/19/91/588651991.db2.gz SPEKIGDSVDUFDR-ZDUSSCGKSA-N 2 1 224.348 1.052 20 30 BDEDMP CC(C)[N@@H+](C)CCNC(=[NH2+])N1CCCCCC1 ZINC000126048557 590221393 /nfs/dbraw/zinc/22/13/93/590221393.db2.gz PIFQNRWRODPSQI-UHFFFAOYSA-N 2 1 240.395 1.517 20 30 BDEDMP C#CC[C@H](CCOC)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000877661082 590387026 /nfs/dbraw/zinc/38/70/26/590387026.db2.gz XAXSGMDDMSBVMN-MCIONIFRSA-N 2 1 238.375 1.487 20 30 BDEDMP C#CC[C@H](CCOC)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000877661082 590387028 /nfs/dbraw/zinc/38/70/28/590387028.db2.gz XAXSGMDDMSBVMN-MCIONIFRSA-N 2 1 238.375 1.487 20 30 BDEDMP C[C@H](CCC#N)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877741027 590408502 /nfs/dbraw/zinc/40/85/02/590408502.db2.gz MEDVOTAEMZVZHZ-HZSPNIEDSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877741027 590408503 /nfs/dbraw/zinc/40/85/03/590408503.db2.gz MEDVOTAEMZVZHZ-HZSPNIEDSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877741027 590408504 /nfs/dbraw/zinc/40/85/04/590408504.db2.gz MEDVOTAEMZVZHZ-HZSPNIEDSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877741027 590408505 /nfs/dbraw/zinc/40/85/05/590408505.db2.gz MEDVOTAEMZVZHZ-HZSPNIEDSA-N 2 1 235.375 1.952 20 30 BDEDMP C=CCC[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879125150 590698955 /nfs/dbraw/zinc/69/89/55/590698955.db2.gz RBEQDMZEPJZDNT-UHFFFAOYSA-N 2 1 240.391 1.853 20 30 BDEDMP C[N@@H+]1CC[C@H]2C[NH+](CCCCC#N)CC[C@@H]21 ZINC000879571344 590807231 /nfs/dbraw/zinc/80/72/31/590807231.db2.gz PPZKMARMEWYZKD-STQMWFEESA-N 2 1 221.348 1.706 20 30 BDEDMP C[N@H+]1CC[C@H]2C[NH+](CCCCC#N)CC[C@@H]21 ZINC000879571344 590807232 /nfs/dbraw/zinc/80/72/32/590807232.db2.gz PPZKMARMEWYZKD-STQMWFEESA-N 2 1 221.348 1.706 20 30 BDEDMP C[NH+]1CC[C@H]2C[N@H+](CCCCC#N)CC[C@@H]21 ZINC000879571344 590807233 /nfs/dbraw/zinc/80/72/33/590807233.db2.gz PPZKMARMEWYZKD-STQMWFEESA-N 2 1 221.348 1.706 20 30 BDEDMP C[NH+]1CC[C@H]2C[N@@H+](CCCCC#N)CC[C@@H]21 ZINC000879571344 590807235 /nfs/dbraw/zinc/80/72/35/590807235.db2.gz PPZKMARMEWYZKD-STQMWFEESA-N 2 1 221.348 1.706 20 30 BDEDMP C=CCC[C@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879575876 590812293 /nfs/dbraw/zinc/81/22/93/590812293.db2.gz NRDOSJMWHSNECU-RDBSUJKOSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879575876 590812295 /nfs/dbraw/zinc/81/22/95/590812295.db2.gz NRDOSJMWHSNECU-RDBSUJKOSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879575876 590812297 /nfs/dbraw/zinc/81/22/97/590812297.db2.gz NRDOSJMWHSNECU-RDBSUJKOSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CCC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879575874 590814410 /nfs/dbraw/zinc/81/44/10/590814410.db2.gz NRDOSJMWHSNECU-IHRRRGAJSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879575874 590814414 /nfs/dbraw/zinc/81/44/14/590814414.db2.gz NRDOSJMWHSNECU-IHRRRGAJSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879575874 590814418 /nfs/dbraw/zinc/81/44/18/590814418.db2.gz NRDOSJMWHSNECU-IHRRRGAJSA-N 2 1 238.375 1.340 20 30 BDEDMP C=C(CC)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579817 590819004 /nfs/dbraw/zinc/81/90/04/590819004.db2.gz BULDRENVJFZGPU-OLZOCXBDSA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(CC)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579817 590819006 /nfs/dbraw/zinc/81/90/06/590819006.db2.gz BULDRENVJFZGPU-OLZOCXBDSA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(CC)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579817 590819010 /nfs/dbraw/zinc/81/90/10/590819010.db2.gz BULDRENVJFZGPU-OLZOCXBDSA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(CC)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579817 590819014 /nfs/dbraw/zinc/81/90/14/590819014.db2.gz BULDRENVJFZGPU-OLZOCXBDSA-N 2 1 208.349 1.979 20 30 BDEDMP C#CC[NH+](C)[C@H]1CC[C@H]([N@@H+](C)CC#C)CC1 ZINC000886394035 592222772 /nfs/dbraw/zinc/22/27/72/592222772.db2.gz NKTQGQGATNNQQU-HDJSIYSDSA-N 2 1 218.344 1.428 20 30 BDEDMP C#C[C@@](C)(CC)[NH2+]CCCc1c[nH+]cn1C ZINC000313963482 634571028 /nfs/dbraw/zinc/57/10/28/634571028.db2.gz JBQNPIWOQWZWRR-ZDUSSCGKSA-N 2 1 219.332 1.744 20 30 BDEDMP C#CCCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000308916414 632429536 /nfs/dbraw/zinc/42/95/36/632429536.db2.gz NUNDHYYXYJAVMQ-OLZOCXBDSA-N 2 1 206.333 1.283 20 30 BDEDMP C#CCCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000308916414 632429538 /nfs/dbraw/zinc/42/95/38/632429538.db2.gz NUNDHYYXYJAVMQ-OLZOCXBDSA-N 2 1 206.333 1.283 20 30 BDEDMP C#CCCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000308916414 632429545 /nfs/dbraw/zinc/42/95/45/632429545.db2.gz NUNDHYYXYJAVMQ-OLZOCXBDSA-N 2 1 206.333 1.283 20 30 BDEDMP CCNC(NCCC[N@@H+](C)C(C)C)=[NH+]CC ZINC000066245416 632861128 /nfs/dbraw/zinc/86/11/28/632861128.db2.gz RLRSVNLUNWLIBZ-UHFFFAOYSA-N 2 1 228.384 1.292 20 30 BDEDMP C#CCC[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162481572 636034213 /nfs/dbraw/zinc/03/42/13/636034213.db2.gz VNRJNYTWFFWIBC-HNNXBMFYSA-N 2 1 249.402 1.112 20 30 BDEDMP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000303257856 636303477 /nfs/dbraw/zinc/30/34/77/636303477.db2.gz JWMASVMAZBEZOL-GHMZBOCLSA-N 2 1 238.379 1.174 20 30 BDEDMP C=C(C)[C@H](CO)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931311324 640148530 /nfs/dbraw/zinc/14/85/30/640148530.db2.gz LZPREMUHIVXNPO-MELADBBJSA-N 2 1 238.375 1.197 20 30 BDEDMP C=CCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931312403 640148512 /nfs/dbraw/zinc/14/85/12/640148512.db2.gz XAYMWEWIJUXSSL-CHWSQXEVSA-N 2 1 208.349 1.836 20 30 BDEDMP C=C(C)[C@H](CO)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931311324 640148525 /nfs/dbraw/zinc/14/85/25/640148525.db2.gz LZPREMUHIVXNPO-MELADBBJSA-N 2 1 238.375 1.197 20 30 BDEDMP C=CCC[C@@H](O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931438073 640203089 /nfs/dbraw/zinc/20/30/89/640203089.db2.gz ZAFXUFCFAZKKKY-HZSPNIEDSA-N 2 1 238.375 1.197 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931438073 640203096 /nfs/dbraw/zinc/20/30/96/640203096.db2.gz ZAFXUFCFAZKKKY-HZSPNIEDSA-N 2 1 238.375 1.197 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931438073 640203099 /nfs/dbraw/zinc/20/30/99/640203099.db2.gz ZAFXUFCFAZKKKY-HZSPNIEDSA-N 2 1 238.375 1.197 20 30 BDEDMP C=C(C)CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931518994 640251425 /nfs/dbraw/zinc/25/14/25/640251425.db2.gz PRPPCGSOSZYDCY-UHFFFAOYSA-N 2 1 217.316 1.988 20 30 BDEDMP C=C(C)CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931518994 640251428 /nfs/dbraw/zinc/25/14/28/640251428.db2.gz PRPPCGSOSZYDCY-UHFFFAOYSA-N 2 1 217.316 1.988 20 30 BDEDMP C#CCC1([NH2+]CCn2cc[nH+]c2C)CCC1 ZINC000933293837 640699394 /nfs/dbraw/zinc/69/93/94/640699394.db2.gz CJAPCHNUBGMADA-UHFFFAOYSA-N 2 1 217.316 1.727 20 30 BDEDMP C#CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000228201103 640866132 /nfs/dbraw/zinc/86/61/32/640866132.db2.gz RXHSJYASYJRFIY-ZIAGYGMSSA-N 2 1 220.360 1.816 20 30 BDEDMP C#CCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000228201103 640866135 /nfs/dbraw/zinc/86/61/35/640866135.db2.gz RXHSJYASYJRFIY-ZIAGYGMSSA-N 2 1 220.360 1.816 20 30 BDEDMP C#CCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000228201103 640866137 /nfs/dbraw/zinc/86/61/37/640866137.db2.gz RXHSJYASYJRFIY-ZIAGYGMSSA-N 2 1 220.360 1.816 20 30 BDEDMP C#CCCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000181305263 642861461 /nfs/dbraw/zinc/86/14/61/642861461.db2.gz YBHPAMSOFYONND-STQMWFEESA-N 2 1 208.349 1.862 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000923281018 644314550 /nfs/dbraw/zinc/31/45/50/644314550.db2.gz NJALNGHNTUEICO-RYUDHWBXSA-N 2 1 212.337 1.127 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000923281018 644314545 /nfs/dbraw/zinc/31/45/45/644314545.db2.gz NJALNGHNTUEICO-RYUDHWBXSA-N 2 1 212.337 1.127 20 30 BDEDMP C=CCC[C@@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923367812 644377147 /nfs/dbraw/zinc/37/71/47/644377147.db2.gz IVZLUZITLOVVEV-MNOVXSKESA-N 2 1 214.353 1.277 20 30 BDEDMP C=CCC[C@H](O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000923369902 644380863 /nfs/dbraw/zinc/38/08/63/644380863.db2.gz NICXRCDURSTKFJ-QNWHQSFQSA-N 2 1 226.364 1.290 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923400017 644406811 /nfs/dbraw/zinc/40/68/11/644406811.db2.gz VYRHVUHRKHNVTP-AGIUHOORSA-N 2 1 224.348 1.127 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000923400017 644406819 /nfs/dbraw/zinc/40/68/19/644406819.db2.gz VYRHVUHRKHNVTP-AGIUHOORSA-N 2 1 224.348 1.127 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CC[C@@H]1C[NH3+] ZINC000923490338 644466388 /nfs/dbraw/zinc/46/63/88/644466388.db2.gz MXZSQVQZMONFQG-WDEREUQCSA-N 2 1 233.315 1.568 20 30 BDEDMP CC[C@H](C)NC(=[NH2+])NCC[N@@H+](C)C(C)C ZINC000303364258 644818413 /nfs/dbraw/zinc/81/84/13/644818413.db2.gz FMNYENMFAYIHKR-JTQLQIEISA-N 2 1 214.357 1.029 20 30 BDEDMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)NC(C)(C)C ZINC000303464214 644826997 /nfs/dbraw/zinc/82/69/97/644826997.db2.gz CLUZMKMMAMTFOL-NSHDSACASA-N 2 1 240.395 1.434 20 30 BDEDMP CC(C)NC(=[NH2+])NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000303903201 644855560 /nfs/dbraw/zinc/85/55/60/644855560.db2.gz YHKJLIWXYZREPM-GFCCVEGCSA-N 2 1 240.395 1.420 20 30 BDEDMP CCCCNC(=[NH2+])NCC[N@@H+](C)[C@@H](C)CC ZINC000303973690 644861498 /nfs/dbraw/zinc/86/14/98/644861498.db2.gz HAKSJZWXWZEEBQ-NSHDSACASA-N 2 1 228.384 1.421 20 30 BDEDMP CC[N@H+]1CCCC[C@H]1CNC(NC1CC1)=[NH+]C ZINC000304083370 644870400 /nfs/dbraw/zinc/87/04/00/644870400.db2.gz ZCJOMMJNAUAVSZ-LBPRGKRZSA-N 2 1 238.379 1.188 20 30 BDEDMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000925710972 646436212 /nfs/dbraw/zinc/43/62/12/646436212.db2.gz WMNTVGQOJZWODP-YFKTTZPYSA-N 2 1 207.321 1.409 20 30 BDEDMP N#Cc1ccc(F)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000925814684 646492688 /nfs/dbraw/zinc/49/26/88/646492688.db2.gz OIFVSNYBXRMEOZ-CYBMUJFWSA-N 2 1 247.317 1.929 20 30 BDEDMP C=CC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000390654099 711130675 /nfs/dbraw/zinc/13/06/75/711130675.db2.gz QDFYFOWODGQWJY-WODVXLOZSA-N 2 1 224.348 1.138 20 30 BDEDMP N#Cc1cccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000723711939 711535730 /nfs/dbraw/zinc/53/57/30/711535730.db2.gz KXJFTIWJJSCTDV-LBPRGKRZSA-N 2 1 229.327 1.729 20 30 BDEDMP C=C[C@](C)(O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001252558931 968805423 /nfs/dbraw/zinc/80/54/23/968805423.db2.gz KLKQHHRRYJKADC-ZDUSSCGKSA-N 2 1 238.375 1.341 20 30 BDEDMP C=CCC[C@@H](O)C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001252614610 968872420 /nfs/dbraw/zinc/87/24/20/968872420.db2.gz MTELHLZNKBGYLZ-QWHCGFSZSA-N 2 1 226.364 1.387 20 30 BDEDMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC001254654488 969765897 /nfs/dbraw/zinc/76/58/97/969765897.db2.gz UWKCUAPPYSELDG-VXGBXAGGSA-N 2 1 209.337 1.562 20 30 BDEDMP C=CCC[C@@H](O)C[NH2+]CCn1cc[nH+]c1C ZINC001252614552 983849000 /nfs/dbraw/zinc/84/90/00/983849000.db2.gz LQXFTQCWCFYRJP-GFCCVEGCSA-N 2 1 223.320 1.108 20 30 BDEDMP C=C(C)C[NH2+]CCCNC(=O)C[N@H+](C)CCC ZINC001171762952 974146058 /nfs/dbraw/zinc/14/60/58/974146058.db2.gz NTTSPKSYTPQNEY-UHFFFAOYSA-N 2 1 241.379 1.000 20 30 BDEDMP C#CCCC[NH+]1CCC([N@H+](C)CC)CC1 ZINC001209268150 957377596 /nfs/dbraw/zinc/37/75/96/957377596.db2.gz VIQXKAPPICFYTC-UHFFFAOYSA-N 2 1 208.349 1.816 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+]C#C[Si](C)(C)C ZINC001163919640 965630918 /nfs/dbraw/zinc/63/09/18/965630918.db2.gz AKKCPURZGKOZMN-UHFFFAOYSA-N 2 1 221.380 1.619 20 30 BDEDMP C=CCCCC[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209840 967423911 /nfs/dbraw/zinc/42/39/11/967423911.db2.gz LTMLTTSTJWDXLM-ZDUSSCGKSA-N 2 1 226.364 1.518 20 30 BDEDMP C#CCCC[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206296341 968206471 /nfs/dbraw/zinc/20/64/71/968206471.db2.gz RIIQOCPXLCWWMP-ZDUSSCGKSA-N 2 1 208.349 1.851 20 30 BDEDMP C=CCC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001252614001 968869383 /nfs/dbraw/zinc/86/93/83/968869383.db2.gz FATQMFKCWVBBLY-UONOGXRCSA-N 2 1 240.391 1.635 20 30 BDEDMP C=C[C@H](O)C[N@H+](C)C1CC[NH+](CCCC)CC1 ZINC001253588040 969277826 /nfs/dbraw/zinc/27/78/26/969277826.db2.gz RGKOZHSAQDYLQY-AWEZNQCLSA-N 2 1 240.391 1.730 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2[nH]ccc2C#N)CCC[C@@H]1C[NH3+] ZINC001206012312 969695907 /nfs/dbraw/zinc/69/59/07/969695907.db2.gz KFFFYYKJUROQHL-VXGBXAGGSA-N 2 1 246.358 1.693 20 30 BDEDMP C[NH+](C)CCC[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC001254654484 969764920 /nfs/dbraw/zinc/76/49/20/969764920.db2.gz UWKCUAPPYSELDG-NWDGAFQWSA-N 2 1 209.337 1.562 20 30 BDEDMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC001254654484 969764921 /nfs/dbraw/zinc/76/49/21/969764921.db2.gz UWKCUAPPYSELDG-NWDGAFQWSA-N 2 1 209.337 1.562 20 30 BDEDMP C[NH+](C)CCC[N@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC001254654488 969765895 /nfs/dbraw/zinc/76/58/95/969765895.db2.gz UWKCUAPPYSELDG-VXGBXAGGSA-N 2 1 209.337 1.562 20 30 BDEDMP C#CC1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256081111 970647763 /nfs/dbraw/zinc/64/77/63/970647763.db2.gz OXEOOHZIUPWSSZ-UHFFFAOYSA-N 2 1 232.371 1.958 20 30 BDEDMP C#C[C@@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256079465 970647876 /nfs/dbraw/zinc/64/78/76/970647876.db2.gz KIECNETYLDPHEW-CYBMUJFWSA-N 2 1 232.371 1.958 20 30 BDEDMP C#C[C@@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256079465 970647880 /nfs/dbraw/zinc/64/78/80/970647880.db2.gz KIECNETYLDPHEW-CYBMUJFWSA-N 2 1 232.371 1.958 20 30 BDEDMP C=CCCCNc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001170299067 970677109 /nfs/dbraw/zinc/67/71/09/970677109.db2.gz ZSEOTTMPORQKTG-UHFFFAOYSA-N 2 1 246.358 1.869 20 30 BDEDMP CC[C@H](CC#N)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246567407 972816548 /nfs/dbraw/zinc/81/65/48/972816548.db2.gz KSOBIPLQEVTRNU-JHJVBQTASA-N 2 1 223.364 1.985 20 30 BDEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1(C[NH3+])CC1 ZINC001171200994 972881733 /nfs/dbraw/zinc/88/17/33/972881733.db2.gz GCNYKRYLFBLCNH-NSHDSACASA-N 2 1 229.327 1.570 20 30 BDEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCS)C2 ZINC001172117381 974383489 /nfs/dbraw/zinc/38/34/89/974383489.db2.gz LDIRSRUNQPPDPE-ZSBIGDGJSA-N 2 1 228.405 1.911 20 30 BDEDMP C[C@H](CCCC#N)[N@@H+](C)CCC[NH+](C)C ZINC001172493837 974841704 /nfs/dbraw/zinc/84/17/04/974841704.db2.gz OKCFIALHAFLEDT-GFCCVEGCSA-N 2 1 211.353 1.952 20 30 BDEDMP C=CC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001176642010 978143399 /nfs/dbraw/zinc/14/33/99/978143399.db2.gz WAOJATUTYLZUMB-UPJWGTAASA-N 2 1 208.349 1.835 20 30 BDEDMP C=CC[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001176642010 978143402 /nfs/dbraw/zinc/14/34/02/978143402.db2.gz WAOJATUTYLZUMB-UPJWGTAASA-N 2 1 208.349 1.835 20 30 BDEDMP C=CC[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001176642010 978143405 /nfs/dbraw/zinc/14/34/05/978143405.db2.gz WAOJATUTYLZUMB-UPJWGTAASA-N 2 1 208.349 1.835 20 30 BDEDMP C=CC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001176642010 978143408 /nfs/dbraw/zinc/14/34/08/978143408.db2.gz WAOJATUTYLZUMB-UPJWGTAASA-N 2 1 208.349 1.835 20 30 BDEDMP C[C@H]1CC[N@@H+](Cc2[nH]ccc2C#N)CC[C@H]1C[NH3+] ZINC001205638061 981375458 /nfs/dbraw/zinc/37/54/58/981375458.db2.gz KVNFMZUYSTVTAH-RYUDHWBXSA-N 2 1 246.358 1.693 20 30 BDEDMP C=CC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@@H](C)COC ZINC000691844663 985698047 /nfs/dbraw/zinc/69/80/47/985698047.db2.gz LXFANCHWSFHUJT-AGIUHOORSA-N 2 1 226.364 1.365 20 30 BDEDMP C=CCC[C@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001258724916 986062444 /nfs/dbraw/zinc/06/24/44/986062444.db2.gz DHMQVLUOPRSMIY-LBPRGKRZSA-N 2 1 214.353 1.245 20 30 BDEDMP C=C[C@H](O)C[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001253611688 986290299 /nfs/dbraw/zinc/29/02/99/986290299.db2.gz SNEQCVPGUQBBSY-AVGNSLFASA-N 2 1 226.364 1.242 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001580040614 986447504 /nfs/dbraw/zinc/44/75/04/986447504.db2.gz LTLBNNIUYNLYFA-FVCCEPFGSA-N 2 1 219.332 1.220 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246018867 987309167 /nfs/dbraw/zinc/30/91/67/987309167.db2.gz CBSANNOVRZTXQW-QWHCGFSZSA-N 2 1 244.354 1.466 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246018867 987309174 /nfs/dbraw/zinc/30/91/74/987309174.db2.gz CBSANNOVRZTXQW-QWHCGFSZSA-N 2 1 244.354 1.466 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246029927 987328903 /nfs/dbraw/zinc/32/89/03/987328903.db2.gz NGFBAKZLVQZESP-KGLIPLIRSA-N 2 1 238.375 1.532 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246029927 987328912 /nfs/dbraw/zinc/32/89/12/987328912.db2.gz NGFBAKZLVQZESP-KGLIPLIRSA-N 2 1 238.375 1.532 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246029924 987330750 /nfs/dbraw/zinc/33/07/50/987330750.db2.gz NGFBAKZLVQZESP-KBPBESRZSA-N 2 1 238.375 1.532 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246029924 987330760 /nfs/dbraw/zinc/33/07/60/987330760.db2.gz NGFBAKZLVQZESP-KBPBESRZSA-N 2 1 238.375 1.532 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246029931 987332704 /nfs/dbraw/zinc/33/27/04/987332704.db2.gz NGFBAKZLVQZESP-ZIAGYGMSSA-N 2 1 238.375 1.532 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246029931 987332709 /nfs/dbraw/zinc/33/27/09/987332709.db2.gz NGFBAKZLVQZESP-ZIAGYGMSSA-N 2 1 238.375 1.532 20 30 BDEDMP CCCCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246296709 987689132 /nfs/dbraw/zinc/68/91/32/987689132.db2.gz CEGUDOJMGWHLIP-MELADBBJSA-N 2 1 242.407 1.905 20 30 BDEDMP C[C@H]1C[C@@H]([NH2+]Cc2cncc(C#N)c2)CC[NH2+]1 ZINC001246352550 987758743 /nfs/dbraw/zinc/75/87/43/987758743.db2.gz RVCFMBZCRSXXBL-GWCFXTLKSA-N 2 1 230.315 1.183 20 30 BDEDMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001246544288 987921741 /nfs/dbraw/zinc/92/17/41/987921741.db2.gz QEVPPFSMKJYRQC-CQLXCSJHSA-N 2 1 221.348 1.880 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]([NH3+])CC2)C1 ZINC001246546678 987925355 /nfs/dbraw/zinc/92/53/55/987925355.db2.gz NGDONQYGNGXBNI-UTUOFQBUSA-N 2 1 207.321 1.492 20 30 BDEDMP C=CCC[C@@H](C)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246565615 988015200 /nfs/dbraw/zinc/01/52/00/988015200.db2.gz ZCYCLBRYZZFRFV-OLZOCXBDSA-N 2 1 226.364 1.517 20 30 BDEDMP C[C@@H]1C[N@H+](C2CCC(CC#N)CC2)C[C@H]1[NH3+] ZINC001246567079 988032368 /nfs/dbraw/zinc/03/23/68/988032368.db2.gz JUBAREZVACAUHM-IKWCTNDRSA-N 2 1 221.348 1.738 20 30 BDEDMP N#CC1CCC([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246629604 988304277 /nfs/dbraw/zinc/30/42/77/988304277.db2.gz FJCHOULXYFAHHQ-IFWUJCSASA-N 2 1 219.332 1.505 20 30 BDEDMP N#C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246637307 988333146 /nfs/dbraw/zinc/33/31/46/988333146.db2.gz PZAZJCKMKXZXED-NNYUYHANSA-N 2 1 205.305 1.115 20 30 BDEDMP N#C[C@H]1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246637307 988333160 /nfs/dbraw/zinc/33/31/60/988333160.db2.gz PZAZJCKMKXZXED-NNYUYHANSA-N 2 1 205.305 1.115 20 30 BDEDMP N#CCC1CCC([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246645689 988362279 /nfs/dbraw/zinc/36/22/79/988362279.db2.gz VNJLHIXHKUKUKU-CLRIEMFWSA-N 2 1 233.359 1.895 20 30 BDEDMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C#N)CC2)CC[NH2+]1 ZINC001246830447 988521297 /nfs/dbraw/zinc/52/12/97/988521297.db2.gz HHTSILZTTMJTMW-UPJWGTAASA-N 2 1 221.348 1.753 20 30 BDEDMP C[C@@H]1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C[NH2+]1 ZINC001246834192 988532735 /nfs/dbraw/zinc/53/27/35/988532735.db2.gz NGBVTGZCDQNPEX-POQQGIQPSA-N 2 1 233.359 1.893 20 30 BDEDMP C[C@@H]1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C[NH2+]1 ZINC001246834192 988532742 /nfs/dbraw/zinc/53/27/42/988532742.db2.gz NGBVTGZCDQNPEX-POQQGIQPSA-N 2 1 233.359 1.893 20 30 BDEDMP C#C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246837922 988538401 /nfs/dbraw/zinc/53/84/01/988538401.db2.gz WZDDCYFFXDDOEU-JHJVBQTASA-N 2 1 206.333 1.472 20 30 BDEDMP C#CC[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138772080 991036501 /nfs/dbraw/zinc/03/65/01/991036501.db2.gz GMCIMXKKSLOPCN-UHFFFAOYSA-N 2 1 246.354 1.692 20 30 BDEDMP C=CCO[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001261482105 992333719 /nfs/dbraw/zinc/33/37/19/992333719.db2.gz ATITXBWTXGWEES-CYBMUJFWSA-N 2 1 224.348 1.263 20 30 BDEDMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001576120358 993187579 /nfs/dbraw/zinc/18/75/79/993187579.db2.gz SWIUONSOOTTWCV-CMPLNLGQSA-N 2 1 230.315 1.122 20 30 BDEDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001576120358 993187583 /nfs/dbraw/zinc/18/75/83/993187583.db2.gz SWIUONSOOTTWCV-CMPLNLGQSA-N 2 1 230.315 1.122 20 30 BDEDMP CCC(CC)(C[NH3+])C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001577051140 993488202 /nfs/dbraw/zinc/48/82/02/993488202.db2.gz IOGAJRGASUBFMD-LBPRGKRZSA-N 2 1 223.364 1.987 20 30 BDEDMP CCC(CC)(C[NH3+])C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001577051140 993488206 /nfs/dbraw/zinc/48/82/06/993488206.db2.gz IOGAJRGASUBFMD-LBPRGKRZSA-N 2 1 223.364 1.987 20 30 BDEDMP C=CCSCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422943855 398160311 /nfs/dbraw/zinc/16/03/11/398160311.db2.gz LCBBIRRXORMNCC-MNOVXSKESA-N 2 1 214.378 1.493 20 30 BDEDMP CN(C)c1cc[nH+]cc1C[NH2+]CCCCC#N ZINC000185184718 136219806 /nfs/dbraw/zinc/21/98/06/136219806.db2.gz GRGRGHBBDOSDEB-UHFFFAOYSA-N 2 1 232.331 1.931 20 30 BDEDMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602522505 349575939 /nfs/dbraw/zinc/57/59/39/349575939.db2.gz WSXYXHJKYJQDQB-OLZOCXBDSA-N 2 1 223.364 1.858 20 30 BDEDMP N#CCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844731 349781086 /nfs/dbraw/zinc/78/10/86/349781086.db2.gz FDGNRFXGBWSYKF-UHFFFAOYSA-N 2 1 244.342 1.897 20 30 BDEDMP C=C(C)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363258300 136269196 /nfs/dbraw/zinc/26/91/96/136269196.db2.gz FKLFZWLYTVLBAO-RDBSUJKOSA-N 2 1 220.360 1.979 20 30 BDEDMP C=C(C)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363258300 136269197 /nfs/dbraw/zinc/26/91/97/136269197.db2.gz FKLFZWLYTVLBAO-RDBSUJKOSA-N 2 1 220.360 1.979 20 30 BDEDMP C=C(C)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363258300 136269198 /nfs/dbraw/zinc/26/91/98/136269198.db2.gz FKLFZWLYTVLBAO-RDBSUJKOSA-N 2 1 220.360 1.979 20 30 BDEDMP C=C(C)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363258298 136269240 /nfs/dbraw/zinc/26/92/40/136269240.db2.gz FKLFZWLYTVLBAO-MCIONIFRSA-N 2 1 220.360 1.979 20 30 BDEDMP C=C(C)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363258298 136269241 /nfs/dbraw/zinc/26/92/41/136269241.db2.gz FKLFZWLYTVLBAO-MCIONIFRSA-N 2 1 220.360 1.979 20 30 BDEDMP C=C(C)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363258298 136269242 /nfs/dbraw/zinc/26/92/42/136269242.db2.gz FKLFZWLYTVLBAO-MCIONIFRSA-N 2 1 220.360 1.979 20 30 BDEDMP C[C@H]1C[C@@H]([N@@H+](C)CCOCCC#N)CCN1C ZINC000339010360 136280071 /nfs/dbraw/zinc/28/00/71/136280071.db2.gz LYQQVMQHWCSFIB-STQMWFEESA-N 2 1 239.363 1.331 20 30 BDEDMP C[C@H]1C[C@@H]([N@H+](C)CCOCCC#N)CC[NH+]1C ZINC000339010360 136280074 /nfs/dbraw/zinc/28/00/74/136280074.db2.gz LYQQVMQHWCSFIB-STQMWFEESA-N 2 1 239.363 1.331 20 30 BDEDMP C[C@H]1C[C@@H]([N@@H+](C)CCOCCC#N)CC[NH+]1C ZINC000339010360 136280075 /nfs/dbraw/zinc/28/00/75/136280075.db2.gz LYQQVMQHWCSFIB-STQMWFEESA-N 2 1 239.363 1.331 20 30 BDEDMP CC#CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248393968 345367625 /nfs/dbraw/zinc/36/76/25/345367625.db2.gz MMRXMLZAHUQEPP-UONOGXRCSA-N 2 1 220.360 1.816 20 30 BDEDMP CC#CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248393968 345367628 /nfs/dbraw/zinc/36/76/28/345367628.db2.gz MMRXMLZAHUQEPP-UONOGXRCSA-N 2 1 220.360 1.816 20 30 BDEDMP CC#CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248393968 345367632 /nfs/dbraw/zinc/36/76/32/345367632.db2.gz MMRXMLZAHUQEPP-UONOGXRCSA-N 2 1 220.360 1.816 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309818095 347174988 /nfs/dbraw/zinc/17/49/88/347174988.db2.gz VSMRCPBWBJDGQT-FRRDWIJNSA-N 2 1 226.364 1.243 20 30 BDEDMP N#Cc1cnccc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000592485425 347786307 /nfs/dbraw/zinc/78/63/07/347786307.db2.gz PWYOROXKJAFXPO-GFCCVEGCSA-N 2 1 244.342 1.514 20 30 BDEDMP C[C@@]1(C#N)CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000595904510 348396052 /nfs/dbraw/zinc/39/60/52/348396052.db2.gz DZHQCBBTYOYRHF-NEPJUHHUSA-N 2 1 207.321 1.222 20 30 BDEDMP C[C@]1(C#N)CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000595905043 348396308 /nfs/dbraw/zinc/39/63/08/348396308.db2.gz PCNYUHTXURKQQW-CHWSQXEVSA-N 2 1 221.348 1.612 20 30 BDEDMP CC1(C#N)CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000335182919 350302744 /nfs/dbraw/zinc/30/27/44/350302744.db2.gz XLGGSIKBSFHNKW-CPCZMJQVSA-N 2 1 221.348 1.800 20 30 BDEDMP C=CCC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623542342 362961038 /nfs/dbraw/zinc/96/10/38/362961038.db2.gz WLEONNZKMCGQJT-OLZOCXBDSA-N 2 1 240.391 1.776 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(OC)C2)CC1 ZINC000347334552 133820930 /nfs/dbraw/zinc/82/09/30/133820930.db2.gz IYMBBZUYXCWNMN-UHFFFAOYSA-N 2 1 238.375 1.794 20 30 BDEDMP C=C(C)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344038788 354101804 /nfs/dbraw/zinc/10/18/04/354101804.db2.gz GDZIABRFPVCYKI-UHFFFAOYSA-N 2 1 227.396 1.378 20 30 BDEDMP C[NH+](C)CC1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000352791378 134152761 /nfs/dbraw/zinc/15/27/61/134152761.db2.gz ZHFOTTBHHQZOFC-CQSZACIVSA-N 2 1 248.374 1.704 20 30 BDEDMP C=CCCC[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000398193120 357859354 /nfs/dbraw/zinc/85/93/54/357859354.db2.gz SDYPKTSWMQEWGS-OCCSQVGLSA-N 2 1 240.391 1.776 20 30 BDEDMP C=CCCC[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000398193120 357859358 /nfs/dbraw/zinc/85/93/58/357859358.db2.gz SDYPKTSWMQEWGS-OCCSQVGLSA-N 2 1 240.391 1.776 20 30 BDEDMP C=CCCC[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000398193123 357860206 /nfs/dbraw/zinc/86/02/06/357860206.db2.gz SDYPKTSWMQEWGS-TZMCWYRMSA-N 2 1 240.391 1.776 20 30 BDEDMP C=CCCC[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000398193123 357860209 /nfs/dbraw/zinc/86/02/09/357860209.db2.gz SDYPKTSWMQEWGS-TZMCWYRMSA-N 2 1 240.391 1.776 20 30 BDEDMP C=CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111231398 358446302 /nfs/dbraw/zinc/44/63/02/358446302.db2.gz ZAJWFGMALRPAOG-CQSZACIVSA-N 2 1 237.391 1.274 20 30 BDEDMP C=CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111231398 358446303 /nfs/dbraw/zinc/44/63/03/358446303.db2.gz ZAJWFGMALRPAOG-CQSZACIVSA-N 2 1 237.391 1.274 20 30 BDEDMP C=CCC[C@@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130973383 358655715 /nfs/dbraw/zinc/65/57/15/358655715.db2.gz WFGZFNKEIFGANT-MGPQQGTHSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000130973383 358655719 /nfs/dbraw/zinc/65/57/19/358655719.db2.gz WFGZFNKEIFGANT-MGPQQGTHSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000130973383 358655725 /nfs/dbraw/zinc/65/57/25/358655725.db2.gz WFGZFNKEIFGANT-MGPQQGTHSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000130973383 358655728 /nfs/dbraw/zinc/65/57/28/358655728.db2.gz WFGZFNKEIFGANT-MGPQQGTHSA-N 2 1 240.391 1.728 20 30 BDEDMP C#CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246892879 359173226 /nfs/dbraw/zinc/17/32/26/359173226.db2.gz RBGSKUBWRZXTTO-JSGCOSHPSA-N 2 1 218.344 1.568 20 30 BDEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246892879 359173228 /nfs/dbraw/zinc/17/32/28/359173228.db2.gz RBGSKUBWRZXTTO-JSGCOSHPSA-N 2 1 218.344 1.568 20 30 BDEDMP C#CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246892879 359173229 /nfs/dbraw/zinc/17/32/29/359173229.db2.gz RBGSKUBWRZXTTO-JSGCOSHPSA-N 2 1 218.344 1.568 20 30 BDEDMP C#CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246892879 359173231 /nfs/dbraw/zinc/17/32/31/359173231.db2.gz RBGSKUBWRZXTTO-JSGCOSHPSA-N 2 1 218.344 1.568 20 30 BDEDMP N#CC1(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)CC1 ZINC000611429551 359367256 /nfs/dbraw/zinc/36/72/56/359367256.db2.gz OJHCVJWOSGSHNQ-GFCCVEGCSA-N 2 1 230.315 1.824 20 30 BDEDMP C=CCCOCC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000090883527 360092709 /nfs/dbraw/zinc/09/27/09/360092709.db2.gz PWLIIGAWEGNJHJ-KGLIPLIRSA-N 2 1 240.391 1.899 20 30 BDEDMP C=CC[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000090003594 360053144 /nfs/dbraw/zinc/05/31/44/360053144.db2.gz BINWZHWAZZMTFO-LBPRGKRZSA-N 2 1 219.332 1.861 20 30 BDEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000435736118 201286910 /nfs/dbraw/zinc/28/69/10/201286910.db2.gz UCUJBNOMQXQFKM-OCCSQVGLSA-N 2 1 238.375 1.651 20 30 BDEDMP C=CCC[C@@H](CC)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154346495 201275819 /nfs/dbraw/zinc/27/58/19/201275819.db2.gz IIXCPFQTEGCBKC-NEPJUHHUSA-N 2 1 214.353 1.243 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000381999227 367476800 /nfs/dbraw/zinc/47/68/00/367476800.db2.gz JFORKQCQDMSTIQ-STQMWFEESA-N 2 1 219.332 1.223 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000381999227 367476806 /nfs/dbraw/zinc/47/68/06/367476806.db2.gz JFORKQCQDMSTIQ-STQMWFEESA-N 2 1 219.332 1.223 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000384668446 367714274 /nfs/dbraw/zinc/71/42/74/367714274.db2.gz XKXXOGSLLOWPBD-FRRDWIJNSA-N 2 1 224.348 1.097 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000384668446 367714277 /nfs/dbraw/zinc/71/42/77/367714277.db2.gz XKXXOGSLLOWPBD-FRRDWIJNSA-N 2 1 224.348 1.097 20 30 BDEDMP N#CC1(c2ccccc2)CCC([NH2+]CC[NH3+])CC1 ZINC000034579835 368265186 /nfs/dbraw/zinc/26/51/86/368265186.db2.gz SIHMHQKRTMVROS-UHFFFAOYSA-N 2 1 243.354 1.939 20 30 BDEDMP N#Cc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000107573937 369354059 /nfs/dbraw/zinc/35/40/59/369354059.db2.gz WRVLXJXRGNNBQV-ZIAGYGMSSA-N 2 1 227.311 1.209 20 30 BDEDMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000600703960 369559201 /nfs/dbraw/zinc/55/92/01/369559201.db2.gz NFSWDFHKXKNKLF-CQSZACIVSA-N 2 1 243.354 1.908 20 30 BDEDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000600703960 369559205 /nfs/dbraw/zinc/55/92/05/369559205.db2.gz NFSWDFHKXKNKLF-CQSZACIVSA-N 2 1 243.354 1.908 20 30 BDEDMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(C#N)o1 ZINC000600769626 369563977 /nfs/dbraw/zinc/56/39/77/369563977.db2.gz PVQUTBZVDPAALG-VHSXEESVSA-N 2 1 219.288 1.320 20 30 BDEDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(C#N)o1 ZINC000600769626 369563979 /nfs/dbraw/zinc/56/39/79/369563979.db2.gz PVQUTBZVDPAALG-VHSXEESVSA-N 2 1 219.288 1.320 20 30 BDEDMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000131509530 371612534 /nfs/dbraw/zinc/61/25/34/371612534.db2.gz LOTLOAKMHWZMTE-SMDDNHRTSA-N 2 1 229.327 1.870 20 30 BDEDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000131509530 371612539 /nfs/dbraw/zinc/61/25/39/371612539.db2.gz LOTLOAKMHWZMTE-SMDDNHRTSA-N 2 1 229.327 1.870 20 30 BDEDMP C#CCC[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000368579246 533048684 /nfs/dbraw/zinc/04/86/84/533048684.db2.gz CFIWEGGAXDIDTF-OAHLLOKOSA-N 2 1 249.402 1.112 20 30 BDEDMP C#CCC[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000368579246 533048688 /nfs/dbraw/zinc/04/86/88/533048688.db2.gz CFIWEGGAXDIDTF-OAHLLOKOSA-N 2 1 249.402 1.112 20 30 BDEDMP C#CCC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374589723 533052556 /nfs/dbraw/zinc/05/25/56/533052556.db2.gz AEELSRAISFGTGW-CQSZACIVSA-N 2 1 249.402 1.110 20 30 BDEDMP N#Cc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000565215237 384619913 /nfs/dbraw/zinc/61/99/13/384619913.db2.gz HGGADQXTYYFWPY-UHFFFAOYSA-N 2 1 229.327 1.744 20 30 BDEDMP C#CC[N@@H+](CCn1cc[nH+]c1C)C1CC1 ZINC000491314204 385337153 /nfs/dbraw/zinc/33/71/53/385337153.db2.gz DWWHJSGXEVZKRG-UHFFFAOYSA-N 2 1 203.289 1.289 20 30 BDEDMP C#CC[N@H+](CCn1cc[nH+]c1C)C1CC1 ZINC000491314204 385337163 /nfs/dbraw/zinc/33/71/63/385337163.db2.gz DWWHJSGXEVZKRG-UHFFFAOYSA-N 2 1 203.289 1.289 20 30 BDEDMP N#CCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000158071712 385338162 /nfs/dbraw/zinc/33/81/62/385338162.db2.gz ZALARKRAEDTXJX-QWHCGFSZSA-N 2 1 233.359 1.897 20 30 BDEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])Nc1ccccn1 ZINC000170914448 385456316 /nfs/dbraw/zinc/45/63/16/385456316.db2.gz NELMRVDNSWTVBT-NSHDSACASA-N 2 1 249.362 1.539 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423156126 387935426 /nfs/dbraw/zinc/93/54/26/387935426.db2.gz RTFQZXFQFBBZKM-KXNHARMFSA-N 2 1 210.321 1.060 20 30 BDEDMP C[C@H]([NH2+]CC(C)(C)CC#N)[C@@H]1CCC[NH2+]1 ZINC000423169681 387954579 /nfs/dbraw/zinc/95/45/79/387954579.db2.gz KBEDXNVHVUSJAA-QWRGUYRKSA-N 2 1 209.337 1.656 20 30 BDEDMP C=CCCCC[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000453090209 387981404 /nfs/dbraw/zinc/98/14/04/387981404.db2.gz BQCRLZUAYNRFBH-CHWSQXEVSA-N 2 1 228.380 1.633 20 30 BDEDMP C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CCC[NH2+]1 ZINC000424374801 388000112 /nfs/dbraw/zinc/00/01/12/388000112.db2.gz LRNOVISUDYEOBU-YFKTTZPYSA-N 2 1 207.321 1.409 20 30 BDEDMP CC[NH2+]CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000423246687 388029672 /nfs/dbraw/zinc/02/96/72/388029672.db2.gz ZTCRFWJKKUDEJR-UHFFFAOYSA-N 2 1 209.337 1.658 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000451610154 388283863 /nfs/dbraw/zinc/28/38/63/388283863.db2.gz SBEIDYXAZSEVAR-KGLIPLIRSA-N 2 1 249.358 1.905 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000393903051 388445669 /nfs/dbraw/zinc/44/56/69/388445669.db2.gz ITCASMICFCTXOV-RWMBFGLXSA-N 2 1 208.349 1.576 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000393903051 388445671 /nfs/dbraw/zinc/44/56/71/388445671.db2.gz ITCASMICFCTXOV-RWMBFGLXSA-N 2 1 208.349 1.576 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000328130789 388451473 /nfs/dbraw/zinc/45/14/73/388451473.db2.gz WLKJBSQBCUZYPA-CHWSQXEVSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000328130789 388451474 /nfs/dbraw/zinc/45/14/74/388451474.db2.gz WLKJBSQBCUZYPA-CHWSQXEVSA-N 2 1 208.349 1.720 20 30 BDEDMP C=CCOCCN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000573134244 388422524 /nfs/dbraw/zinc/42/25/24/388422524.db2.gz CFTZBTHWIMATJN-QWHCGFSZSA-N 2 1 224.348 1.358 20 30 BDEDMP C=CCOCCN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000573134244 388422526 /nfs/dbraw/zinc/42/25/26/388422526.db2.gz CFTZBTHWIMATJN-QWHCGFSZSA-N 2 1 224.348 1.358 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000516875994 388522499 /nfs/dbraw/zinc/52/24/99/388522499.db2.gz JQXFVJKVZWXQFS-OLZOCXBDSA-N 2 1 235.331 1.286 20 30 BDEDMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423478955 388692691 /nfs/dbraw/zinc/69/26/91/388692691.db2.gz UYODFRKGRHBSDE-BHDSKKPTSA-N 2 1 229.327 1.871 20 30 BDEDMP C[C@@H](CCCC#N)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172495150 974845725 /nfs/dbraw/zinc/84/57/25/974845725.db2.gz NEFJFUHJAZWLAA-MJBXVCDLSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@@H](CCCC#N)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001172495150 974845730 /nfs/dbraw/zinc/84/57/30/974845730.db2.gz NEFJFUHJAZWLAA-MJBXVCDLSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@@H](CCCC#N)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001172495150 974845735 /nfs/dbraw/zinc/84/57/35/974845735.db2.gz NEFJFUHJAZWLAA-MJBXVCDLSA-N 2 1 235.375 1.952 20 30 BDEDMP C=CC[N@H+](CCOCC[NH3+])Cc1ccccc1 ZINC000357068989 134181875 /nfs/dbraw/zinc/18/18/75/134181875.db2.gz DWVVWADREXNICT-UHFFFAOYSA-N 2 1 234.343 1.650 20 30 BDEDMP C#CCC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371198593 134227815 /nfs/dbraw/zinc/22/78/15/134227815.db2.gz OEKIUARXXFQPNB-OAHLLOKOSA-N 2 1 249.402 1.110 20 30 BDEDMP C#CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363415828 134398828 /nfs/dbraw/zinc/39/88/28/134398828.db2.gz YNQYSWYVCNMESY-AGIUHOORSA-N 2 1 204.317 1.036 20 30 BDEDMP C#CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363415828 134398830 /nfs/dbraw/zinc/39/88/30/134398830.db2.gz YNQYSWYVCNMESY-AGIUHOORSA-N 2 1 204.317 1.036 20 30 BDEDMP C#CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363415828 134398832 /nfs/dbraw/zinc/39/88/32/134398832.db2.gz YNQYSWYVCNMESY-AGIUHOORSA-N 2 1 204.317 1.036 20 30 BDEDMP C#CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363415828 134398833 /nfs/dbraw/zinc/39/88/33/134398833.db2.gz YNQYSWYVCNMESY-AGIUHOORSA-N 2 1 204.317 1.036 20 30 BDEDMP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CC[C@@H](C#N)C1 ZINC000339005592 135051922 /nfs/dbraw/zinc/05/19/22/135051922.db2.gz VDIGRHDFYFEGLH-RDBSUJKOSA-N 2 1 235.375 1.952 20 30 BDEDMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CC[C@@H](C#N)C1 ZINC000339005592 135051923 /nfs/dbraw/zinc/05/19/23/135051923.db2.gz VDIGRHDFYFEGLH-RDBSUJKOSA-N 2 1 235.375 1.952 20 30 BDEDMP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CC[C@@H](C#N)C1 ZINC000339005592 135051925 /nfs/dbraw/zinc/05/19/25/135051925.db2.gz VDIGRHDFYFEGLH-RDBSUJKOSA-N 2 1 235.375 1.952 20 30 BDEDMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CC[C@@H](C#N)C1 ZINC000339005592 135051926 /nfs/dbraw/zinc/05/19/26/135051926.db2.gz VDIGRHDFYFEGLH-RDBSUJKOSA-N 2 1 235.375 1.952 20 30 BDEDMP C[NH+](C)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000260508462 135148228 /nfs/dbraw/zinc/14/82/28/135148228.db2.gz WCBOAACNYLPILS-WCQYABFASA-N 2 1 221.348 1.705 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1cnn(C)c1 ZINC000295004279 135188182 /nfs/dbraw/zinc/18/81/82/135188182.db2.gz MFQCAXPMGGLJNS-CQSZACIVSA-N 2 1 248.374 1.416 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1cnn(C)c1 ZINC000295004279 135188184 /nfs/dbraw/zinc/18/81/84/135188184.db2.gz MFQCAXPMGGLJNS-CQSZACIVSA-N 2 1 248.374 1.416 20 30 BDEDMP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H](C)[NH3+] ZINC000261565248 135207042 /nfs/dbraw/zinc/20/70/42/135207042.db2.gz CZWSCMCLDVWCPY-AXFHLTTASA-N 2 1 217.316 1.945 20 30 BDEDMP CC#CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000121815618 135225446 /nfs/dbraw/zinc/22/54/46/135225446.db2.gz GSTJKHJAEHNBLL-CQSZACIVSA-N 2 1 220.360 1.960 20 30 BDEDMP CC#CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000121815618 135225447 /nfs/dbraw/zinc/22/54/47/135225447.db2.gz GSTJKHJAEHNBLL-CQSZACIVSA-N 2 1 220.360 1.960 20 30 BDEDMP CC[C@@H]1C[C@H]1NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000262784168 135318156 /nfs/dbraw/zinc/31/81/56/135318156.db2.gz JKQNDYCAENILIE-GRYCIOLGSA-N 2 1 238.379 1.174 20 30 BDEDMP C=C(C)CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323991 409638923 /nfs/dbraw/zinc/63/89/23/409638923.db2.gz RUBVTZVXDOXLFR-AWEZNQCLSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CC[C@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000680542935 487614259 /nfs/dbraw/zinc/61/42/59/487614259.db2.gz MDYZXZHJJYMYGY-GFCCVEGCSA-N 2 1 235.331 1.174 20 30 BDEDMP C=CCOCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658208275 411294668 /nfs/dbraw/zinc/29/46/68/411294668.db2.gz ZHTSLBCREZMQGT-UHFFFAOYSA-N 2 1 238.375 1.796 20 30 BDEDMP C=CCOCCC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000658210577 411295406 /nfs/dbraw/zinc/29/54/06/411295406.db2.gz UQNFTEKTYPPZOY-KGLIPLIRSA-N 2 1 240.391 1.899 20 30 BDEDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000309940011 170017192 /nfs/dbraw/zinc/01/71/92/170017192.db2.gz BJSYWJPDITXCPZ-JHJVBQTASA-N 2 1 221.348 1.610 20 30 BDEDMP C=CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H](C)COC ZINC000661239485 411741144 /nfs/dbraw/zinc/74/11/44/411741144.db2.gz GPPPHXGMTLJINB-ZIAGYGMSSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CC[N@H+](CC[C@H]1CCC[NH+]1C)[C@H](C)COC ZINC000661239485 411741146 /nfs/dbraw/zinc/74/11/46/411741146.db2.gz GPPPHXGMTLJINB-ZIAGYGMSSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H](C)COC ZINC000661239485 411741147 /nfs/dbraw/zinc/74/11/47/411741147.db2.gz GPPPHXGMTLJINB-ZIAGYGMSSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CC[NH+](CC[C@H]1CCC[N@H+]1C)[C@H](C)COC ZINC000661239485 411741150 /nfs/dbraw/zinc/74/11/50/411741150.db2.gz GPPPHXGMTLJINB-ZIAGYGMSSA-N 2 1 240.391 1.994 20 30 BDEDMP C=C(CC)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153712 412008404 /nfs/dbraw/zinc/00/84/04/412008404.db2.gz SZHCKJREKQXJAA-AWEZNQCLSA-N 2 1 238.375 1.484 20 30 BDEDMP C=C(CC)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662153712 412008406 /nfs/dbraw/zinc/00/84/06/412008406.db2.gz SZHCKJREKQXJAA-AWEZNQCLSA-N 2 1 238.375 1.484 20 30 BDEDMP C=CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662278896 412071710 /nfs/dbraw/zinc/07/17/10/412071710.db2.gz CCBTVSBCUQGFNH-GFCCVEGCSA-N 2 1 222.332 1.158 20 30 BDEDMP C=CC[N@H+](CCC1CC[NH2+]CC1)[C@@H](C)COC ZINC000662298467 412085326 /nfs/dbraw/zinc/08/53/26/412085326.db2.gz CVXHLVZTPYCGOC-ZDUSSCGKSA-N 2 1 240.391 1.899 20 30 BDEDMP C=CCCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322139 412099919 /nfs/dbraw/zinc/09/99/19/412099919.db2.gz URQKYMXDDVNRKX-CQSZACIVSA-N 2 1 240.391 1.995 20 30 BDEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000649330172 487734335 /nfs/dbraw/zinc/73/43/35/487734335.db2.gz SHCBBTMQDZHTIK-KBPBESRZSA-N 2 1 240.391 1.587 20 30 BDEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000649330172 487734340 /nfs/dbraw/zinc/73/43/40/487734340.db2.gz SHCBBTMQDZHTIK-KBPBESRZSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CC[C@@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000680542936 487614359 /nfs/dbraw/zinc/61/43/59/487614359.db2.gz MDYZXZHJJYMYGY-LBPRGKRZSA-N 2 1 235.331 1.174 20 30 BDEDMP CC[N@@H+]1CC[C@@H]([NH+](C)CC#CCOC)[C@@H](C)C1 ZINC000677819291 488134672 /nfs/dbraw/zinc/13/46/72/488134672.db2.gz WOVYJXANFSZIME-UONOGXRCSA-N 2 1 238.375 1.298 20 30 BDEDMP CC[N@H+]1CC[C@@H]([NH+](C)CC#CCOC)[C@@H](C)C1 ZINC000677819291 488134675 /nfs/dbraw/zinc/13/46/75/488134675.db2.gz WOVYJXANFSZIME-UONOGXRCSA-N 2 1 238.375 1.298 20 30 BDEDMP CC[NH+]1CC[C@@H]([N@H+](C)CC#CCOC)[C@@H](C)C1 ZINC000677819291 488134678 /nfs/dbraw/zinc/13/46/78/488134678.db2.gz WOVYJXANFSZIME-UONOGXRCSA-N 2 1 238.375 1.298 20 30 BDEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CC#CCOC)[C@@H](C)C1 ZINC000677819291 488134679 /nfs/dbraw/zinc/13/46/79/488134679.db2.gz WOVYJXANFSZIME-UONOGXRCSA-N 2 1 238.375 1.298 20 30 BDEDMP C=CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CC1 ZINC000121055666 534797694 /nfs/dbraw/zinc/79/76/94/534797694.db2.gz BDERWNGYUCSGLS-QWHCGFSZSA-N 2 1 226.364 1.243 20 30 BDEDMP C=CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363415003 534855163 /nfs/dbraw/zinc/85/51/63/534855163.db2.gz SWIKDAFOAJUQGC-FRRDWIJNSA-N 2 1 206.333 1.589 20 30 BDEDMP C=CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363415003 534855167 /nfs/dbraw/zinc/85/51/67/534855167.db2.gz SWIKDAFOAJUQGC-FRRDWIJNSA-N 2 1 206.333 1.589 20 30 BDEDMP C=CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363415003 534855170 /nfs/dbraw/zinc/85/51/70/534855170.db2.gz SWIKDAFOAJUQGC-FRRDWIJNSA-N 2 1 206.333 1.589 20 30 BDEDMP C=CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363415003 534855171 /nfs/dbraw/zinc/85/51/71/534855171.db2.gz SWIKDAFOAJUQGC-FRRDWIJNSA-N 2 1 206.333 1.589 20 30 BDEDMP C=CCOCCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000348047165 534874493 /nfs/dbraw/zinc/87/44/93/534874493.db2.gz FMUNPOVAGRXCES-KBPBESRZSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CCOCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000348047165 534874495 /nfs/dbraw/zinc/87/44/95/534874495.db2.gz FMUNPOVAGRXCES-KBPBESRZSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CCOCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000348047165 534874496 /nfs/dbraw/zinc/87/44/96/534874496.db2.gz FMUNPOVAGRXCES-KBPBESRZSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CCOCCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000348047165 534874498 /nfs/dbraw/zinc/87/44/98/534874498.db2.gz FMUNPOVAGRXCES-KBPBESRZSA-N 2 1 240.391 1.994 20 30 BDEDMP C=C(C)COCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400558359 526655787 /nfs/dbraw/zinc/65/57/87/526655787.db2.gz ZTZWKTMZLWVNOC-NWDGAFQWSA-N 2 1 212.337 1.309 20 30 BDEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CCCC1 ZINC000263236771 535262276 /nfs/dbraw/zinc/26/22/76/535262276.db2.gz JUBQZPBLBOTMJG-UHFFFAOYSA-N 2 1 249.362 1.253 20 30 BDEDMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000172196409 535965695 /nfs/dbraw/zinc/96/56/95/535965695.db2.gz DMLSGQIDARKHGG-OAHLLOKOSA-N 2 1 243.354 1.942 20 30 BDEDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000172196409 535965698 /nfs/dbraw/zinc/96/56/98/535965698.db2.gz DMLSGQIDARKHGG-OAHLLOKOSA-N 2 1 243.354 1.942 20 30 BDEDMP CC(C)[N@@H+](C)CCC[NH+]=C(N(C)C)N(C)C ZINC000848987622 582818848 /nfs/dbraw/zinc/81/88/48/582818848.db2.gz LEMKVYJAQSFGGR-UHFFFAOYSA-N 2 1 228.384 1.196 20 30 BDEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NC(C)C ZINC000104191492 583162844 /nfs/dbraw/zinc/16/28/44/583162844.db2.gz LKOYMQSZZLTAND-JTQLQIEISA-N 2 1 214.357 1.029 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000858420552 588952855 /nfs/dbraw/zinc/95/28/55/588952855.db2.gz GICZSWRJHTXLOX-SNPRPXQTSA-N 2 1 234.387 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000858420552 588952856 /nfs/dbraw/zinc/95/28/56/588952856.db2.gz GICZSWRJHTXLOX-SNPRPXQTSA-N 2 1 234.387 1.966 20 30 BDEDMP C[C@@]1(C[NH3+])CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903453072 584773023 /nfs/dbraw/zinc/77/30/23/584773023.db2.gz YEAOUKOJSKOROB-RUXDESIVSA-N 2 1 235.375 1.987 20 30 BDEDMP N#C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000903563431 584782545 /nfs/dbraw/zinc/78/25/45/584782545.db2.gz CLVUJRJKTSOTJT-OLZOCXBDSA-N 2 1 221.348 1.612 20 30 BDEDMP C[N@H+](CC[NH3+])CCCCC1(C#N)CCC1 ZINC000903761559 584797312 /nfs/dbraw/zinc/79/73/12/584797312.db2.gz WBXXFKXPDZCVNQ-UHFFFAOYSA-N 2 1 209.337 1.741 20 30 BDEDMP C[N@@H+](CC[NH3+])CCCCC1(C#N)CCC1 ZINC000903761559 584797314 /nfs/dbraw/zinc/79/73/14/584797314.db2.gz WBXXFKXPDZCVNQ-UHFFFAOYSA-N 2 1 209.337 1.741 20 30 BDEDMP C=CC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815549 584800679 /nfs/dbraw/zinc/80/06/79/584800679.db2.gz RNCHMGHYMVJMQW-UHFFFAOYSA-N 2 1 210.321 1.017 20 30 BDEDMP C[N@@H+](Cc1cc(C#N)cs1)C[C@H]1CC[NH2+]C1 ZINC000903827860 584804878 /nfs/dbraw/zinc/80/48/78/584804878.db2.gz YYAXFNRLWITQBE-JTQLQIEISA-N 2 1 235.356 1.661 20 30 BDEDMP C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CC[NH2+]C1 ZINC000903827860 584804879 /nfs/dbraw/zinc/80/48/79/584804879.db2.gz YYAXFNRLWITQBE-JTQLQIEISA-N 2 1 235.356 1.661 20 30 BDEDMP C#CCC[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000760842711 585399413 /nfs/dbraw/zinc/39/94/13/585399413.db2.gz ILPUXNBIQGDZKI-AWEZNQCLSA-N 2 1 238.375 1.442 20 30 BDEDMP C#CCCC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000766905434 585511208 /nfs/dbraw/zinc/51/12/08/585511208.db2.gz LYRXCOCDLLZPGO-CYBMUJFWSA-N 2 1 208.349 1.673 20 30 BDEDMP C#CCCC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000766905434 585511209 /nfs/dbraw/zinc/51/12/09/585511209.db2.gz LYRXCOCDLLZPGO-CYBMUJFWSA-N 2 1 208.349 1.673 20 30 BDEDMP C#CCCC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000766905434 585511210 /nfs/dbraw/zinc/51/12/10/585511210.db2.gz LYRXCOCDLLZPGO-CYBMUJFWSA-N 2 1 208.349 1.673 20 30 BDEDMP C#C[C@@H](C)[NH+](C)C/C=C\C[N@H+](C)[C@@H](C)C#C ZINC000769963564 585568024 /nfs/dbraw/zinc/56/80/24/585568024.db2.gz WARNIEGWYSMJLH-BXIWVINRSA-N 2 1 218.344 1.450 20 30 BDEDMP C#C[C@@H](C)[N@@H+](C)C/C=C\C[NH+](C)[C@@H](C)C#C ZINC000769963564 585568025 /nfs/dbraw/zinc/56/80/25/585568025.db2.gz WARNIEGWYSMJLH-BXIWVINRSA-N 2 1 218.344 1.450 20 30 BDEDMP C#C[C@@H](C)[N@H+](C)C/C=C\C[NH+](C)[C@@H](C)C#C ZINC000769963564 585568026 /nfs/dbraw/zinc/56/80/26/585568026.db2.gz WARNIEGWYSMJLH-BXIWVINRSA-N 2 1 218.344 1.450 20 30 BDEDMP C=CCNC(=[NH2+])NCC[N@H+](C)C1CCCCC1 ZINC000848987794 588426196 /nfs/dbraw/zinc/42/61/96/588426196.db2.gz BTPMJHUSKVISDA-UHFFFAOYSA-N 2 1 238.379 1.551 20 30 BDEDMP C=C(C)CNC(=[NH2+])NCC[C@H]1CCC[N@H+](C)C1 ZINC000849041354 588447859 /nfs/dbraw/zinc/44/78/59/588447859.db2.gz QPOBEJUQSAREQI-GFCCVEGCSA-N 2 1 238.379 1.408 20 30 BDEDMP C#CCOCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000851848220 588634585 /nfs/dbraw/zinc/63/45/85/588634585.db2.gz ZVKWYJIDZQHMIP-KGLIPLIRSA-N 2 1 238.375 1.298 20 30 BDEDMP C#CCOCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000851848220 588634586 /nfs/dbraw/zinc/63/45/86/588634586.db2.gz ZVKWYJIDZQHMIP-KGLIPLIRSA-N 2 1 238.375 1.298 20 30 BDEDMP C#CCOCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000851848220 588634587 /nfs/dbraw/zinc/63/45/87/588634587.db2.gz ZVKWYJIDZQHMIP-KGLIPLIRSA-N 2 1 238.375 1.298 20 30 BDEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000852743892 588699247 /nfs/dbraw/zinc/69/92/47/588699247.db2.gz NFSHRFNCWGPPFP-HNNXBMFYSA-N 2 1 243.354 1.771 20 30 BDEDMP C[N@@H+](CCc1cccc(C#N)c1)C[C@@H]1CC[NH2+]C1 ZINC000866698460 589513100 /nfs/dbraw/zinc/51/31/00/589513100.db2.gz VQEURXGKOXINAX-OAHLLOKOSA-N 2 1 243.354 1.642 20 30 BDEDMP C#CC[N@@H+](C)CCCNc1cc[nH+]cc1C1CC1 ZINC000872554760 589949602 /nfs/dbraw/zinc/94/96/02/589949602.db2.gz YHGWOSNKAQQRRG-UHFFFAOYSA-N 2 1 243.354 1.748 20 30 BDEDMP C#C[C@H](CC)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877513215 590344205 /nfs/dbraw/zinc/34/42/05/590344205.db2.gz OGCSBIJYSKDSTH-GFCCVEGCSA-N 2 1 238.375 1.223 20 30 BDEDMP C#CC[C@H](CCOC)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000877661084 590387188 /nfs/dbraw/zinc/38/71/88/590387188.db2.gz XAXSGMDDMSBVMN-MJBXVCDLSA-N 2 1 238.375 1.487 20 30 BDEDMP C#CC[C@H](CCOC)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000877661084 590387190 /nfs/dbraw/zinc/38/71/90/590387190.db2.gz XAXSGMDDMSBVMN-MJBXVCDLSA-N 2 1 238.375 1.487 20 30 BDEDMP C#CCCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878864036 590634555 /nfs/dbraw/zinc/63/45/55/590634555.db2.gz NKZQKRZMRXTMIW-UHFFFAOYSA-N 2 1 220.360 1.818 20 30 BDEDMP C#CCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878867662 590636883 /nfs/dbraw/zinc/63/68/83/590636883.db2.gz VTLYLDWOKRWFJS-UHFFFAOYSA-N 2 1 206.333 1.427 20 30 BDEDMP C=CC[C@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000879001053 590674083 /nfs/dbraw/zinc/67/40/83/590674083.db2.gz OEMIARWSXBPHDK-KBPBESRZSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CCOCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579533 590816701 /nfs/dbraw/zinc/81/67/01/590816701.db2.gz NHAKAXYPUUPQGU-QWHCGFSZSA-N 2 1 224.348 1.215 20 30 BDEDMP C=CCOCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579533 590816705 /nfs/dbraw/zinc/81/67/05/590816705.db2.gz NHAKAXYPUUPQGU-QWHCGFSZSA-N 2 1 224.348 1.215 20 30 BDEDMP C=CCOCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579533 590816707 /nfs/dbraw/zinc/81/67/07/590816707.db2.gz NHAKAXYPUUPQGU-QWHCGFSZSA-N 2 1 224.348 1.215 20 30 BDEDMP C=CCOCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579533 590816711 /nfs/dbraw/zinc/81/67/11/590816711.db2.gz NHAKAXYPUUPQGU-QWHCGFSZSA-N 2 1 224.348 1.215 20 30 BDEDMP C#CC[N@H+](C)CCCNc1ccnc(CC)n1 ZINC000884516139 591963379 /nfs/dbraw/zinc/96/33/79/591963379.db2.gz CFJYTGRHKMYOHP-UHFFFAOYSA-N 2 1 232.331 1.406 20 30 BDEDMP C[NH+](CCC#N)[C@H]1CC[C@H]([N@@H+](C)CCC#N)CC1 ZINC000886394120 592222943 /nfs/dbraw/zinc/22/29/43/592222943.db2.gz RJXOLUXGPAZAHA-HDJSIYSDSA-N 2 1 248.374 1.989 20 30 BDEDMP C#CC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886670025 592298283 /nfs/dbraw/zinc/29/82/83/592298283.db2.gz IHFFSEXKEPFDQL-UHFFFAOYSA-N 2 1 217.316 1.839 20 30 BDEDMP N#C[C@@H]1CC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925704830 634384059 /nfs/dbraw/zinc/38/40/59/634384059.db2.gz KOHXWDURYUKTEJ-LZRJYULZSA-N 2 1 231.343 1.265 20 30 BDEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])N(CC)CC)C1 ZINC000104179658 634588413 /nfs/dbraw/zinc/58/84/13/634588413.db2.gz KTBUYJUXXHPNTP-LBPRGKRZSA-N 2 1 240.395 1.375 20 30 BDEDMP Cc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1C#N ZINC000925841447 635507260 /nfs/dbraw/zinc/50/72/60/635507260.db2.gz REASMAQFPNIZBE-KGLIPLIRSA-N 2 1 229.327 1.836 20 30 BDEDMP C[N@@H+]1CCC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000051814374 631936977 /nfs/dbraw/zinc/93/69/77/631936977.db2.gz LXYCRRASJMZIAZ-MRXNPFEDSA-N 2 1 242.366 1.970 20 30 BDEDMP C[N@H+]1CCC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000051814374 631936983 /nfs/dbraw/zinc/93/69/83/631936983.db2.gz LXYCRRASJMZIAZ-MRXNPFEDSA-N 2 1 242.366 1.970 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CSC[C@@H]1C ZINC000327999039 633212473 /nfs/dbraw/zinc/21/24/73/633212473.db2.gz NJXDDQMIOLBDAI-RYUDHWBXSA-N 2 1 226.389 1.283 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CSC[C@@H]1C ZINC000327999039 633212478 /nfs/dbraw/zinc/21/24/78/633212478.db2.gz NJXDDQMIOLBDAI-RYUDHWBXSA-N 2 1 226.389 1.283 20 30 BDEDMP C=CC[NH+]1CCC(NCc2ccc(F)nc2)CC1 ZINC000189073976 636608283 /nfs/dbraw/zinc/60/82/83/636608283.db2.gz CGJXVKGGUVTDPP-UHFFFAOYSA-N 2 1 249.333 1.961 20 30 BDEDMP CCCNC(=[NH2+])NCC[N@@H+](CC)CCC ZINC000083052910 636733923 /nfs/dbraw/zinc/73/39/23/636733923.db2.gz GYJBUZZPRPAEFM-UHFFFAOYSA-N 2 1 214.357 1.033 20 30 BDEDMP C=C(C)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931302707 640144164 /nfs/dbraw/zinc/14/41/64/640144164.db2.gz BNMAULZXANOQKO-BETUJISGSA-N 2 1 208.349 1.836 20 30 BDEDMP C=C(C)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931302707 640144171 /nfs/dbraw/zinc/14/41/71/640144171.db2.gz BNMAULZXANOQKO-BETUJISGSA-N 2 1 208.349 1.836 20 30 BDEDMP C=C(C)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931302707 640144175 /nfs/dbraw/zinc/14/41/75/640144175.db2.gz BNMAULZXANOQKO-BETUJISGSA-N 2 1 208.349 1.836 20 30 BDEDMP C=C(C)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931302707 640144179 /nfs/dbraw/zinc/14/41/79/640144179.db2.gz BNMAULZXANOQKO-BETUJISGSA-N 2 1 208.349 1.836 20 30 BDEDMP C=C(Cl)CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000931431325 640199593 /nfs/dbraw/zinc/19/95/93/640199593.db2.gz KTGSOFCVBXXEHT-MNOVXSKESA-N 2 1 214.740 1.622 20 30 BDEDMP C=C(Cl)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931431325 640199603 /nfs/dbraw/zinc/19/96/03/640199603.db2.gz KTGSOFCVBXXEHT-MNOVXSKESA-N 2 1 214.740 1.622 20 30 BDEDMP C=C(Cl)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931431325 640199611 /nfs/dbraw/zinc/19/96/11/640199611.db2.gz KTGSOFCVBXXEHT-MNOVXSKESA-N 2 1 214.740 1.622 20 30 BDEDMP C=C(Cl)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931431325 640199615 /nfs/dbraw/zinc/19/96/15/640199615.db2.gz KTGSOFCVBXXEHT-MNOVXSKESA-N 2 1 214.740 1.622 20 30 BDEDMP C=C(Cl)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931431325 640199624 /nfs/dbraw/zinc/19/96/24/640199624.db2.gz KTGSOFCVBXXEHT-MNOVXSKESA-N 2 1 214.740 1.622 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000923294946 644333552 /nfs/dbraw/zinc/33/35/52/644333552.db2.gz QWVICDXAUWMWHH-WXRRBKDZSA-N 2 1 226.364 1.515 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000923352829 644369315 /nfs/dbraw/zinc/36/93/15/644369315.db2.gz FUWJXMXTIIIZDY-CHWSQXEVSA-N 2 1 226.364 1.517 20 30 BDEDMP C=CC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923375836 644389457 /nfs/dbraw/zinc/38/94/57/644389457.db2.gz GQBUYMBCJGXRTD-GFCCVEGCSA-N 2 1 222.332 1.015 20 30 BDEDMP C=CCC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923398519 644404000 /nfs/dbraw/zinc/40/40/00/644404000.db2.gz KRQPBTJGUCMUMR-NWDGAFQWSA-N 2 1 224.348 1.188 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000923423407 644420172 /nfs/dbraw/zinc/42/01/72/644420172.db2.gz QRXWAAWSHXCGMX-CYBMUJFWSA-N 2 1 240.391 1.907 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1C[NH3+] ZINC000923492940 644468909 /nfs/dbraw/zinc/46/89/09/644468909.db2.gz ZPQKZWGJDDYHHH-QWHCGFSZSA-N 2 1 243.354 1.975 20 30 BDEDMP CC[N@H+]1CC[C@H](N(C)C[C@H](O)CC#N)C[C@@H]1C ZINC000929779743 646310120 /nfs/dbraw/zinc/31/01/20/646310120.db2.gz IISMKSXGLPIBMF-RWMBFGLXSA-N 2 1 239.363 1.066 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]CC1(O)CCCCC1 ZINC000383098207 711666585 /nfs/dbraw/zinc/66/65/85/711666585.db2.gz ZCKXQKSAMRXUGH-UHFFFAOYSA-N 2 1 238.375 1.226 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]CC1(O)CCCCC1 ZINC000383098207 711666586 /nfs/dbraw/zinc/66/65/86/711666586.db2.gz ZCKXQKSAMRXUGH-UHFFFAOYSA-N 2 1 238.375 1.226 20 30 BDEDMP C=CC[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000715051870 712505270 /nfs/dbraw/zinc/50/52/70/712505270.db2.gz FHOGEZBMCIMYBC-RWMBFGLXSA-N 2 1 208.349 1.882 20 30 BDEDMP C#CC[C@H](COC)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000716853492 712578624 /nfs/dbraw/zinc/57/86/24/712578624.db2.gz AGSFFHGJIXVZNT-MCIONIFRSA-N 2 1 236.359 1.241 20 30 BDEDMP C#C[C@](C)(CC)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000384219683 710834987 /nfs/dbraw/zinc/83/49/87/710834987.db2.gz RVJSLYDHHURGOA-QWHCGFSZSA-N 2 1 226.364 1.079 20 30 BDEDMP C#C[C@](C)(CC)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000384219683 710834989 /nfs/dbraw/zinc/83/49/89/710834989.db2.gz RVJSLYDHHURGOA-QWHCGFSZSA-N 2 1 226.364 1.079 20 30 BDEDMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCCC#N)C[C@H]21 ZINC000385044476 712707990 /nfs/dbraw/zinc/70/79/90/712707990.db2.gz ZOKABPAGKXUPBI-GDNZZTSVSA-N 2 1 207.321 1.172 20 30 BDEDMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCCC#N)C[C@H]21 ZINC000385044476 712707992 /nfs/dbraw/zinc/70/79/92/712707992.db2.gz ZOKABPAGKXUPBI-GDNZZTSVSA-N 2 1 207.321 1.172 20 30 BDEDMP C#C[C@](C)(CC)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000692596172 960334201 /nfs/dbraw/zinc/33/42/01/960334201.db2.gz VSUMNCXXYBLROW-CHWSQXEVSA-N 2 1 208.349 1.862 20 30 BDEDMP C=CCNCC[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205984623 967927837 /nfs/dbraw/zinc/92/78/37/967927837.db2.gz SPSVSIIRVWETNP-CHWSQXEVSA-N 2 1 225.380 1.069 20 30 BDEDMP C=CCNCC[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205984623 967927855 /nfs/dbraw/zinc/92/78/55/967927855.db2.gz SPSVSIIRVWETNP-CHWSQXEVSA-N 2 1 225.380 1.069 20 30 BDEDMP N#CC[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207437506 968770562 /nfs/dbraw/zinc/77/05/62/968770562.db2.gz JEPVXPIEKZXCJH-LBPRGKRZSA-N 2 1 221.348 1.612 20 30 BDEDMP CC[NH+]1CCC(C[N@H+](C)CCC#N)CC1 ZINC001208595164 969153021 /nfs/dbraw/zinc/15/30/21/969153021.db2.gz QVDHABRLBUDUNT-UHFFFAOYSA-N 2 1 209.337 1.564 20 30 BDEDMP CC[NH+]1CCC(C[N@@H+](C)CCC#N)CC1 ZINC001208595164 969153024 /nfs/dbraw/zinc/15/30/24/969153024.db2.gz QVDHABRLBUDUNT-UHFFFAOYSA-N 2 1 209.337 1.564 20 30 BDEDMP C#C[C@](C)(CC)[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253406544 969162995 /nfs/dbraw/zinc/16/29/95/969162995.db2.gz PGQMCJFEYHAHAJ-DGCLKSJQSA-N 2 1 226.364 1.127 20 30 BDEDMP C#CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001256616864 970880493 /nfs/dbraw/zinc/88/04/93/970880493.db2.gz BNDQQIBBZVXQEJ-YOGCLGLASA-N 2 1 204.317 1.367 20 30 BDEDMP C#CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001256616864 970880497 /nfs/dbraw/zinc/88/04/97/970880497.db2.gz BNDQQIBBZVXQEJ-YOGCLGLASA-N 2 1 204.317 1.367 20 30 BDEDMP C#C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256628398 970895508 /nfs/dbraw/zinc/89/55/08/970895508.db2.gz FERHTDZTIJYSPX-RDGKXADDSA-N 2 1 232.371 1.957 20 30 BDEDMP C#C[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256628398 970895517 /nfs/dbraw/zinc/89/55/17/970895517.db2.gz FERHTDZTIJYSPX-RDGKXADDSA-N 2 1 232.371 1.957 20 30 BDEDMP C#C[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256628398 970895523 /nfs/dbraw/zinc/89/55/23/970895523.db2.gz FERHTDZTIJYSPX-RDGKXADDSA-N 2 1 232.371 1.957 20 30 BDEDMP CCCCCCC[C@@H](C)[N@H+](CC[NH3+])CCO ZINC001258042803 971565904 /nfs/dbraw/zinc/56/59/04/971565904.db2.gz ZTQVIELFRGMRNH-CYBMUJFWSA-N 2 1 230.396 1.988 20 30 BDEDMP CCCCCCC[C@@H](C)[N@@H+](CC[NH3+])CCO ZINC001258042803 971565909 /nfs/dbraw/zinc/56/59/09/971565909.db2.gz ZTQVIELFRGMRNH-CYBMUJFWSA-N 2 1 230.396 1.988 20 30 BDEDMP C=CCC[C@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246401713 972311409 /nfs/dbraw/zinc/31/14/09/972311409.db2.gz NYXUMQSVIBFWQW-QWRGUYRKSA-N 2 1 228.336 1.211 20 30 BDEDMP C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC([NH3+])C1 ZINC000402189413 958182767 /nfs/dbraw/zinc/18/27/67/958182767.db2.gz ZEKMUQNYSPFRBE-RUXDESIVSA-N 2 1 245.326 1.013 20 30 BDEDMP C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC([NH3+])C1 ZINC000402189413 958182771 /nfs/dbraw/zinc/18/27/71/958182771.db2.gz ZEKMUQNYSPFRBE-RUXDESIVSA-N 2 1 245.326 1.013 20 30 BDEDMP C=CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH3+])c1ccccc1 ZINC001221360017 972326512 /nfs/dbraw/zinc/32/65/12/972326512.db2.gz DOUVSINXHJIVAM-QWHCGFSZSA-N 2 1 247.342 1.096 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403701398 958812632 /nfs/dbraw/zinc/81/26/32/958812632.db2.gz UOOFWXJVRAAERZ-QLFBSQMISA-N 2 1 234.387 1.967 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403701398 958812633 /nfs/dbraw/zinc/81/26/33/958812633.db2.gz UOOFWXJVRAAERZ-QLFBSQMISA-N 2 1 234.387 1.967 20 30 BDEDMP C#C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000300860861 958978880 /nfs/dbraw/zinc/97/88/80/958978880.db2.gz GLEQZXNUAJPNLT-GSPSYOTPSA-N 2 1 220.360 1.859 20 30 BDEDMP N#Cc1c[nH]c2cc[nH+]c(N3CCC([NH3+])CC3)c12 ZINC001166664118 966355360 /nfs/dbraw/zinc/35/53/60/966355360.db2.gz AIFHCJSEEYOHMO-UHFFFAOYSA-N 2 1 241.298 1.362 20 30 BDEDMP N#Cc1cc[nH]c1C[NH+]1CCC(C[NH3+])CC1 ZINC001205046725 967304635 /nfs/dbraw/zinc/30/46/35/967304635.db2.gz KCFDAFFGXBPAJY-UHFFFAOYSA-N 2 1 218.304 1.057 20 30 BDEDMP C[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C[NH3+] ZINC001205145820 967390864 /nfs/dbraw/zinc/39/08/64/967390864.db2.gz JBWXBZCQNXCIST-VHSXEESVSA-N 2 1 235.356 1.646 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C[NH3+] ZINC001205145820 967390876 /nfs/dbraw/zinc/39/08/76/967390876.db2.gz JBWXBZCQNXCIST-VHSXEESVSA-N 2 1 235.356 1.646 20 30 BDEDMP Cn1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1C#N ZINC001205263875 967457618 /nfs/dbraw/zinc/45/76/18/967457618.db2.gz DOGIASGFRSGBID-CQSZACIVSA-N 2 1 246.358 1.600 20 30 BDEDMP C#CCCC[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205984612 967930785 /nfs/dbraw/zinc/93/07/85/967930785.db2.gz SNZLTWXLRQFZEV-CHWSQXEVSA-N 2 1 208.349 1.707 20 30 BDEDMP N#Cc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206153179 968094432 /nfs/dbraw/zinc/09/44/32/968094432.db2.gz CDGCYCKLXCANHH-KBPBESRZSA-N 2 1 247.317 1.819 20 30 BDEDMP N#Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206153179 968094450 /nfs/dbraw/zinc/09/44/50/968094450.db2.gz CDGCYCKLXCANHH-KBPBESRZSA-N 2 1 247.317 1.819 20 30 BDEDMP Cc1[nH+]c(N2CCC([NH3+])CC2)ccc1CC#N ZINC001166666437 968375640 /nfs/dbraw/zinc/37/56/40/968375640.db2.gz YTDARAVMNQEXEG-UHFFFAOYSA-N 2 1 230.315 1.384 20 30 BDEDMP C=C[C@@](C)(O)C[N@@H+](CCC)CCC[NH+](C)C ZINC001252558648 968795307 /nfs/dbraw/zinc/79/53/07/968795307.db2.gz YSPYSGAVZQDRCG-CYBMUJFWSA-N 2 1 228.380 1.587 20 30 BDEDMP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC000829320134 968828048 /nfs/dbraw/zinc/82/80/48/968828048.db2.gz LORYMSYHOZSCQK-GFCCVEGCSA-N 2 1 231.343 1.988 20 30 BDEDMP C=CCC[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001252614000 968870363 /nfs/dbraw/zinc/87/03/63/968870363.db2.gz FATQMFKCWVBBLY-KGLIPLIRSA-N 2 1 240.391 1.635 20 30 BDEDMP C#CC(C)(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169093572 969384312 /nfs/dbraw/zinc/38/43/12/969384312.db2.gz IRAUGAHEVQEQRE-ZSBIGDGJSA-N 2 1 206.333 1.613 20 30 BDEDMP C#CC(C)(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169093572 969384318 /nfs/dbraw/zinc/38/43/18/969384318.db2.gz IRAUGAHEVQEQRE-ZSBIGDGJSA-N 2 1 206.333 1.613 20 30 BDEDMP C#C[C@H]1CCC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254526617 969717020 /nfs/dbraw/zinc/71/70/20/969717020.db2.gz RYABGCDAYLVLON-KBPBESRZSA-N 2 1 220.360 1.816 20 30 BDEDMP C#C[C@H]1CCC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254526617 969717027 /nfs/dbraw/zinc/71/70/27/969717027.db2.gz RYABGCDAYLVLON-KBPBESRZSA-N 2 1 220.360 1.816 20 30 BDEDMP C#C[C@H]1CCC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254526617 969717032 /nfs/dbraw/zinc/71/70/32/969717032.db2.gz RYABGCDAYLVLON-KBPBESRZSA-N 2 1 220.360 1.816 20 30 BDEDMP CCC[N@@H+](CCC[NH3+])[C@H]1CC[C@H](C#N)C1 ZINC001254636383 969754447 /nfs/dbraw/zinc/75/44/47/969754447.db2.gz KSNJZDVHMURSPB-RYUDHWBXSA-N 2 1 209.337 1.739 20 30 BDEDMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC001254678994 969783751 /nfs/dbraw/zinc/78/37/51/969783751.db2.gz JHOABRATLJUZEM-IGQOVBAYSA-N 2 1 233.359 1.562 20 30 BDEDMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC001254678994 969783756 /nfs/dbraw/zinc/78/37/56/969783756.db2.gz JHOABRATLJUZEM-IGQOVBAYSA-N 2 1 233.359 1.562 20 30 BDEDMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC001254678994 969783760 /nfs/dbraw/zinc/78/37/60/969783760.db2.gz JHOABRATLJUZEM-IGQOVBAYSA-N 2 1 233.359 1.562 20 30 BDEDMP CC1(C#N)CCC([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246854966 973165790 /nfs/dbraw/zinc/16/57/90/973165790.db2.gz RRAFCPXBAWJHTP-BLYZHGLHSA-N 2 1 233.359 1.882 20 30 BDEDMP N#CC1CCC([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246862770 973184783 /nfs/dbraw/zinc/18/47/83/973184783.db2.gz RIIGEZHUAOYVIK-KPFVRQRISA-N 2 1 219.332 1.492 20 30 BDEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1CN ZINC001246906965 973398945 /nfs/dbraw/zinc/39/89/45/973398945.db2.gz DMZYDWNANOOFSD-IUODEOHRSA-N 2 1 243.354 1.912 20 30 BDEDMP CC[N@@H+]1CC[C@@H](NC(=[NH2+])c2ccc(C#N)cc2)C1 ZINC001173351427 975294740 /nfs/dbraw/zinc/29/47/40/975294740.db2.gz AZPXPYUHHOSCJW-CYBMUJFWSA-N 2 1 242.326 1.358 20 30 BDEDMP CC[N@H+]1CC[C@@H](NC(=[NH2+])c2ccc(C#N)cc2)C1 ZINC001173351427 975294745 /nfs/dbraw/zinc/29/47/45/975294745.db2.gz AZPXPYUHHOSCJW-CYBMUJFWSA-N 2 1 242.326 1.358 20 30 BDEDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC#N ZINC001277948552 979051967 /nfs/dbraw/zinc/05/19/67/979051967.db2.gz KYTUBOXQTKPNJR-YHWZYXNKSA-N 2 1 221.348 1.895 20 30 BDEDMP C=CCC[C@H](O)C[NH2+]CCn1cc[nH+]c1C ZINC001252614553 983849289 /nfs/dbraw/zinc/84/92/89/983849289.db2.gz LQXFTQCWCFYRJP-LBPRGKRZSA-N 2 1 223.320 1.108 20 30 BDEDMP C#CCCC[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001275975811 984756060 /nfs/dbraw/zinc/75/60/60/984756060.db2.gz PGDZEUCPJZLAFI-OKILXGFUSA-N 2 1 220.360 1.673 20 30 BDEDMP C#CCCC[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275975811 984756092 /nfs/dbraw/zinc/75/60/92/984756092.db2.gz PGDZEUCPJZLAFI-OKILXGFUSA-N 2 1 220.360 1.673 20 30 BDEDMP C#CCCC[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275975811 984756133 /nfs/dbraw/zinc/75/61/33/984756133.db2.gz PGDZEUCPJZLAFI-OKILXGFUSA-N 2 1 220.360 1.673 20 30 BDEDMP C[N@@H+](CCOCCC#N)C[C@H]1CCC[NH+](C)C1 ZINC000687776664 985379786 /nfs/dbraw/zinc/37/97/86/985379786.db2.gz JPIWFJMBQOZNJN-ZDUSSCGKSA-N 2 1 239.363 1.190 20 30 BDEDMP C[NH+](CCOCCC#N)C[C@H]1CCC[N@H+](C)C1 ZINC000687776664 985379803 /nfs/dbraw/zinc/37/98/03/985379803.db2.gz JPIWFJMBQOZNJN-ZDUSSCGKSA-N 2 1 239.363 1.190 20 30 BDEDMP C[NH+](CCOCCC#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000687776664 985379822 /nfs/dbraw/zinc/37/98/22/985379822.db2.gz JPIWFJMBQOZNJN-ZDUSSCGKSA-N 2 1 239.363 1.190 20 30 BDEDMP C[C@@]12C[NH2+]C[C@@H]1C[N@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC001579474199 985981262 /nfs/dbraw/zinc/98/12/62/985981262.db2.gz ZUCXXEYAQXXANM-LOWDOPEQSA-N 2 1 219.332 1.220 20 30 BDEDMP N#CCC1(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001580047788 986474466 /nfs/dbraw/zinc/47/44/66/986474466.db2.gz ORYCDVZSCOPEFY-NEPJUHHUSA-N 2 1 219.332 1.222 20 30 BDEDMP N#Cc1ccc(C[NH2+]C2CC([NH3+])C2)s1 ZINC001580065165 986511943 /nfs/dbraw/zinc/51/19/43/986511943.db2.gz AEGIUZIPMHFYOH-UHFFFAOYSA-N 2 1 207.302 1.199 20 30 BDEDMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000381761854 986738408 /nfs/dbraw/zinc/73/84/08/986738408.db2.gz UCSFMMVIDDZGNY-RWMBFGLXSA-N 2 1 221.348 1.753 20 30 BDEDMP C=CCC[C@@H](O)C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001245995084 987275793 /nfs/dbraw/zinc/27/57/93/987275793.db2.gz SMLCTDLUFWUGRH-VXGBXAGGSA-N 2 1 212.337 1.045 20 30 BDEDMP C=C[C@](C)(O)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246018140 987301378 /nfs/dbraw/zinc/30/13/78/987301378.db2.gz AGLLFEJLHUABTK-STQMWFEESA-N 2 1 226.364 1.374 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246018728 987305096 /nfs/dbraw/zinc/30/50/96/987305096.db2.gz FTFSYQWAPFABIL-WDEREUQCSA-N 2 1 248.317 1.229 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246021575 987308823 /nfs/dbraw/zinc/30/88/23/987308823.db2.gz KQTOBTUQYMICQC-MJBXVCDLSA-N 2 1 240.391 1.620 20 30 BDEDMP C=C[C@@](C)(O)C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246025295 987321128 /nfs/dbraw/zinc/32/11/28/987321128.db2.gz VZIWGMFPBSCQPW-VXGBXAGGSA-N 2 1 230.327 1.076 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246035179 987335679 /nfs/dbraw/zinc/33/56/79/987335679.db2.gz YQYBLXRNLJQANB-QJPTWQEYSA-N 2 1 230.327 1.075 20 30 BDEDMP C=CCOC1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246130812 987481442 /nfs/dbraw/zinc/48/14/42/987481442.db2.gz VYODISQAZCJKDT-MOKVOYLWSA-N 2 1 238.375 1.842 20 30 BDEDMP C=CC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246364935 987772488 /nfs/dbraw/zinc/77/24/88/987772488.db2.gz VKACSUJLFXVTHB-MCIONIFRSA-N 2 1 237.391 1.367 20 30 BDEDMP C=CCN1CCC[C@H]1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246364935 987772493 /nfs/dbraw/zinc/77/24/93/987772493.db2.gz VKACSUJLFXVTHB-MCIONIFRSA-N 2 1 237.391 1.367 20 30 BDEDMP CC[C@H](CC#N)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246552838 987952039 /nfs/dbraw/zinc/95/20/39/987952039.db2.gz VTWJZGBSRSACFA-NEPJUHHUSA-N 2 1 227.327 1.832 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001246609049 988233971 /nfs/dbraw/zinc/23/39/71/988233971.db2.gz KNQZPKMGECGEPF-MGPQQGTHSA-N 2 1 233.359 1.897 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001246609049 988233996 /nfs/dbraw/zinc/23/39/96/988233996.db2.gz KNQZPKMGECGEPF-MGPQQGTHSA-N 2 1 233.359 1.897 20 30 BDEDMP CC1(C#N)CCC([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246641466 988351814 /nfs/dbraw/zinc/35/18/14/988351814.db2.gz IIRMIVIOHBUPJZ-YIFLHPOLSA-N 2 1 233.359 1.895 20 30 BDEDMP C#C[C@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246837919 988536655 /nfs/dbraw/zinc/53/66/55/988536655.db2.gz WZDDCYFFXDDOEU-AGIUHOORSA-N 2 1 206.333 1.472 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2cc(C#N)ccn2)CC[C@@H]1C[NH3+] ZINC001576807803 993430203 /nfs/dbraw/zinc/43/02/03/993430203.db2.gz VSCNKQGCWFPJAM-WCQYABFASA-N 2 1 244.342 1.370 20 30 BDEDMP C#C[C@@](C)(CC)[NH2+]C[C@H](O)C[NH+](CC)CC ZINC000384222731 993559303 /nfs/dbraw/zinc/55/93/03/993559303.db2.gz SYVOFKFCZPEHJW-STQMWFEESA-N 2 1 226.364 1.081 20 30 BDEDMP C[C@H](CCC#N)C[NH2+]C1CC[NH+](C)CC1 ZINC000602502563 349562529 /nfs/dbraw/zinc/56/25/29/349562529.db2.gz LMHXLVBYMUXYKR-LLVKDONJSA-N 2 1 209.337 1.610 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+]C[C@H](C)CCC#N ZINC000602530163 349579617 /nfs/dbraw/zinc/57/96/17/349579617.db2.gz DXSFYJMIVRECRZ-LLVKDONJSA-N 2 1 220.320 1.721 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000378781843 346833117 /nfs/dbraw/zinc/83/31/17/346833117.db2.gz HUZXWQVDOHTGES-ZIAGYGMSSA-N 2 1 222.376 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000378781843 346833119 /nfs/dbraw/zinc/83/31/19/346833119.db2.gz HUZXWQVDOHTGES-ZIAGYGMSSA-N 2 1 222.376 1.966 20 30 BDEDMP C[C@H](CCC#N)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000602592452 349615177 /nfs/dbraw/zinc/61/51/77/349615177.db2.gz RFGGNBHDSCJJSB-MCIONIFRSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000602592452 349615178 /nfs/dbraw/zinc/61/51/78/349615178.db2.gz RFGGNBHDSCJJSB-MCIONIFRSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000602592452 349615180 /nfs/dbraw/zinc/61/51/80/349615180.db2.gz RFGGNBHDSCJJSB-MCIONIFRSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000602592452 349615182 /nfs/dbraw/zinc/61/51/82/349615182.db2.gz RFGGNBHDSCJJSB-MCIONIFRSA-N 2 1 235.375 1.952 20 30 BDEDMP C[N@@H+]1CC[C@@]2(CC[NH+](CC3(CC#N)CC3)C2)C1 ZINC000310456107 343497866 /nfs/dbraw/zinc/49/78/66/343497866.db2.gz WUGGSWUXUNZCDT-CQSZACIVSA-N 2 1 233.359 1.708 20 30 BDEDMP C[N@H+]1CC[C@@]2(CC[NH+](CC3(CC#N)CC3)C2)C1 ZINC000310456107 343497869 /nfs/dbraw/zinc/49/78/69/343497869.db2.gz WUGGSWUXUNZCDT-CQSZACIVSA-N 2 1 233.359 1.708 20 30 BDEDMP C[NH+]1CC[C@@]2(CC[N@H+](CC3(CC#N)CC3)C2)C1 ZINC000310456107 343497870 /nfs/dbraw/zinc/49/78/70/343497870.db2.gz WUGGSWUXUNZCDT-CQSZACIVSA-N 2 1 233.359 1.708 20 30 BDEDMP C[NH+]1CC[C@@]2(CC[N@@H+](CC3(CC#N)CC3)C2)C1 ZINC000310456107 343497874 /nfs/dbraw/zinc/49/78/74/343497874.db2.gz WUGGSWUXUNZCDT-CQSZACIVSA-N 2 1 233.359 1.708 20 30 BDEDMP N#CCc1cccc2c1CC[N@@H+](CCC[NH3+])C2 ZINC000600749039 344368324 /nfs/dbraw/zinc/36/83/24/344368324.db2.gz GJRBEBLPHULRGC-UHFFFAOYSA-N 2 1 229.327 1.460 20 30 BDEDMP N#CCc1cccc2c1CC[N@H+](CCC[NH3+])C2 ZINC000600749039 344368326 /nfs/dbraw/zinc/36/83/26/344368326.db2.gz GJRBEBLPHULRGC-UHFFFAOYSA-N 2 1 229.327 1.460 20 30 BDEDMP C=CCC[C@@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000155372689 345076504 /nfs/dbraw/zinc/07/65/04/345076504.db2.gz RUBXKYYLAHVXPD-CYBMUJFWSA-N 2 1 226.364 1.340 20 30 BDEDMP CC#CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000156475783 345162867 /nfs/dbraw/zinc/16/28/67/345162867.db2.gz MMRXMLZAHUQEPP-ZIAGYGMSSA-N 2 1 220.360 1.816 20 30 BDEDMP CC#CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000156475783 345162869 /nfs/dbraw/zinc/16/28/69/345162869.db2.gz MMRXMLZAHUQEPP-ZIAGYGMSSA-N 2 1 220.360 1.816 20 30 BDEDMP CC#CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000156475783 345162871 /nfs/dbraw/zinc/16/28/71/345162871.db2.gz MMRXMLZAHUQEPP-ZIAGYGMSSA-N 2 1 220.360 1.816 20 30 BDEDMP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(C#N)cc1 ZINC000591580697 347677968 /nfs/dbraw/zinc/67/79/68/347677968.db2.gz MQTHEPCMOJWASA-ZWNOBZJWSA-N 2 1 217.316 1.946 20 30 BDEDMP N#Cc1cccc2c1C[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000593730981 347937947 /nfs/dbraw/zinc/93/79/47/347937947.db2.gz QHQFJNKVUNUAMA-LBPRGKRZSA-N 2 1 241.338 1.873 20 30 BDEDMP N#Cc1cccc2c1C[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000593730981 347937948 /nfs/dbraw/zinc/93/79/48/347937948.db2.gz QHQFJNKVUNUAMA-LBPRGKRZSA-N 2 1 241.338 1.873 20 30 BDEDMP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623491371 362916653 /nfs/dbraw/zinc/91/66/53/362916653.db2.gz RCFAYNYCZPZODY-VXGBXAGGSA-N 2 1 226.364 1.386 20 30 BDEDMP C[N@H+](CCc1ccc(C#N)cc1)CC(C)(C)[NH3+] ZINC000595900933 348394619 /nfs/dbraw/zinc/39/46/19/348394619.db2.gz PJWQXZPLQGHZPX-UHFFFAOYSA-N 2 1 231.343 1.770 20 30 BDEDMP C[N@@H+](CCc1ccc(C#N)cc1)CC(C)(C)[NH3+] ZINC000595900933 348394621 /nfs/dbraw/zinc/39/46/21/348394621.db2.gz PJWQXZPLQGHZPX-UHFFFAOYSA-N 2 1 231.343 1.770 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C#N)cc1 ZINC000049330209 180260437 /nfs/dbraw/zinc/26/04/37/180260437.db2.gz FGCIAWKRKIDBTD-UHFFFAOYSA-N 2 1 240.310 1.853 20 30 BDEDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCC#N)C1 ZINC000336686330 350442855 /nfs/dbraw/zinc/44/28/55/350442855.db2.gz FZYJZYKBPQLYBW-CQSZACIVSA-N 2 1 235.375 1.954 20 30 BDEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCC#N)C1 ZINC000336686330 350442857 /nfs/dbraw/zinc/44/28/57/350442857.db2.gz FZYJZYKBPQLYBW-CQSZACIVSA-N 2 1 235.375 1.954 20 30 BDEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCC#N)C1 ZINC000336686330 350442859 /nfs/dbraw/zinc/44/28/59/350442859.db2.gz FZYJZYKBPQLYBW-CQSZACIVSA-N 2 1 235.375 1.954 20 30 BDEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCC#N)C1 ZINC000336686330 350442860 /nfs/dbraw/zinc/44/28/60/350442860.db2.gz FZYJZYKBPQLYBW-CQSZACIVSA-N 2 1 235.375 1.954 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000194383824 353650548 /nfs/dbraw/zinc/65/05/48/353650548.db2.gz FAJYHMOUTSGBKO-AWEZNQCLSA-N 2 1 236.359 1.919 20 30 BDEDMP N#Cc1ccccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247070 181145721 /nfs/dbraw/zinc/14/57/21/181145721.db2.gz KZXPVFGWPFMZAQ-NSHDSACASA-N 2 1 215.300 1.339 20 30 BDEDMP N#Cc1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247070 181145723 /nfs/dbraw/zinc/14/57/23/181145723.db2.gz KZXPVFGWPFMZAQ-NSHDSACASA-N 2 1 215.300 1.339 20 30 BDEDMP N#CCc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000399279801 355903742 /nfs/dbraw/zinc/90/37/42/355903742.db2.gz WYULBRMPLZTODS-GASCZTMLSA-N 2 1 241.338 1.404 20 30 BDEDMP C=C(Cl)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000167720407 134153595 /nfs/dbraw/zinc/15/35/95/134153595.db2.gz KOWUWOYXDHGTHS-FGWVZKOKSA-N 2 1 214.740 1.954 20 30 BDEDMP C=CC[N@H+](CCOCC[NH3+])Cc1cccs1 ZINC000357024480 134181608 /nfs/dbraw/zinc/18/16/08/134181608.db2.gz DWMMHSFEESIDIW-UHFFFAOYSA-N 2 1 240.372 1.711 20 30 BDEDMP C#CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000362804744 134214221 /nfs/dbraw/zinc/21/42/21/134214221.db2.gz FWLUYGGSFJLOJJ-AWEZNQCLSA-N 2 1 220.360 1.818 20 30 BDEDMP CC#CCC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000370422787 134226179 /nfs/dbraw/zinc/22/61/79/134226179.db2.gz SIYPJYOPJADNLG-HNNXBMFYSA-N 2 1 249.402 1.112 20 30 BDEDMP CC#CCC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000370422787 134226180 /nfs/dbraw/zinc/22/61/80/134226180.db2.gz SIYPJYOPJADNLG-HNNXBMFYSA-N 2 1 249.402 1.112 20 30 BDEDMP C=CC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375902807 134241209 /nfs/dbraw/zinc/24/12/09/134241209.db2.gz GPSHWMZSQTZAKG-AWEZNQCLSA-N 2 1 237.391 1.273 20 30 BDEDMP C=CCC[C@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000305069532 134239946 /nfs/dbraw/zinc/23/99/46/134239946.db2.gz IXNVXLYSXTUDCI-KBPBESRZSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CCC[C@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000305069532 134239947 /nfs/dbraw/zinc/23/99/47/134239947.db2.gz IXNVXLYSXTUDCI-KBPBESRZSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CCC[C@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000305069532 134239948 /nfs/dbraw/zinc/23/99/48/134239948.db2.gz IXNVXLYSXTUDCI-KBPBESRZSA-N 2 1 240.391 1.587 20 30 BDEDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(C#N)c1 ZINC000215987991 358432854 /nfs/dbraw/zinc/43/28/54/358432854.db2.gz GQAIMEIZVHBJCR-RISCZKNCSA-N 2 1 229.327 1.727 20 30 BDEDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(C#N)c1 ZINC000215987941 358433389 /nfs/dbraw/zinc/43/33/89/358433389.db2.gz GQAIMEIZVHBJCR-SMDDNHRTSA-N 2 1 229.327 1.727 20 30 BDEDMP CC#CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248155886 359256546 /nfs/dbraw/zinc/25/65/46/359256546.db2.gz RJFFRSQSJKTLRN-STQMWFEESA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248155886 359256550 /nfs/dbraw/zinc/25/65/50/359256550.db2.gz RJFFRSQSJKTLRN-STQMWFEESA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248155886 359256553 /nfs/dbraw/zinc/25/65/53/359256553.db2.gz RJFFRSQSJKTLRN-STQMWFEESA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248155886 359256555 /nfs/dbraw/zinc/25/65/55/359256555.db2.gz RJFFRSQSJKTLRN-STQMWFEESA-N 2 1 206.333 1.426 20 30 BDEDMP C=CCCOCC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000090883528 360092814 /nfs/dbraw/zinc/09/28/14/360092814.db2.gz PWLIIGAWEGNJHJ-ZIAGYGMSSA-N 2 1 240.391 1.899 20 30 BDEDMP C[N@@H+](CCCCC#N)C[C@H]1CCC[NH+](C)C1 ZINC000152365353 201197990 /nfs/dbraw/zinc/19/79/90/201197990.db2.gz YLBIPOGBOGCZTE-CYBMUJFWSA-N 2 1 223.364 1.954 20 30 BDEDMP C[NH+](CCCCC#N)C[C@H]1CCC[N@H+](C)C1 ZINC000152365353 201197993 /nfs/dbraw/zinc/19/79/93/201197993.db2.gz YLBIPOGBOGCZTE-CYBMUJFWSA-N 2 1 223.364 1.954 20 30 BDEDMP C[NH+](CCCCC#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000152365353 201197996 /nfs/dbraw/zinc/19/79/96/201197996.db2.gz YLBIPOGBOGCZTE-CYBMUJFWSA-N 2 1 223.364 1.954 20 30 BDEDMP C[N@H+](CCCC#N)C[C@H]1CCC[NH+](C)C1 ZINC000152444668 201199028 /nfs/dbraw/zinc/19/90/28/201199028.db2.gz WIXQVMKJESFDPO-GFCCVEGCSA-N 2 1 209.337 1.564 20 30 BDEDMP C[N@@H+](CCCC#N)C[C@H]1CCC[NH+](C)C1 ZINC000152444668 201199031 /nfs/dbraw/zinc/19/90/31/201199031.db2.gz WIXQVMKJESFDPO-GFCCVEGCSA-N 2 1 209.337 1.564 20 30 BDEDMP C[NH+](CCCC#N)C[C@H]1CCC[N@H+](C)C1 ZINC000152444668 201199032 /nfs/dbraw/zinc/19/90/32/201199032.db2.gz WIXQVMKJESFDPO-GFCCVEGCSA-N 2 1 209.337 1.564 20 30 BDEDMP C[NH+](CCCC#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000152444668 201199034 /nfs/dbraw/zinc/19/90/34/201199034.db2.gz WIXQVMKJESFDPO-GFCCVEGCSA-N 2 1 209.337 1.564 20 30 BDEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000079909559 370703489 /nfs/dbraw/zinc/70/34/89/370703489.db2.gz MWRDUAWHYGLODF-TUKIKUTGSA-N 2 1 241.338 1.770 20 30 BDEDMP C=CCCC[NH+](C)C[C@H](O)C[N@@H+](C)CC ZINC000573455524 364838156 /nfs/dbraw/zinc/83/81/56/364838156.db2.gz XAEQWLWQCMTHEG-GFCCVEGCSA-N 2 1 214.353 1.197 20 30 BDEDMP C=CCCC[NH+](C)C[C@H](O)C[N@H+](C)CC ZINC000573455524 364838160 /nfs/dbraw/zinc/83/81/60/364838160.db2.gz XAEQWLWQCMTHEG-GFCCVEGCSA-N 2 1 214.353 1.197 20 30 BDEDMP C=CCCC[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000573455524 364838163 /nfs/dbraw/zinc/83/81/63/364838163.db2.gz XAEQWLWQCMTHEG-GFCCVEGCSA-N 2 1 214.353 1.197 20 30 BDEDMP C=CCCC[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000573455524 364838168 /nfs/dbraw/zinc/83/81/68/364838168.db2.gz XAEQWLWQCMTHEG-GFCCVEGCSA-N 2 1 214.353 1.197 20 30 BDEDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CC#N ZINC000068610133 370820875 /nfs/dbraw/zinc/82/08/75/370820875.db2.gz GNWOPFZBFYWBGB-JTQLQIEISA-N 2 1 206.293 1.473 20 30 BDEDMP C=CCC(C)(C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310479679 326193666 /nfs/dbraw/zinc/19/36/66/326193666.db2.gz LCLNGVRWIDLCEH-ZDUSSCGKSA-N 2 1 240.391 1.633 20 30 BDEDMP C=CCC(C)(C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000310479679 326193670 /nfs/dbraw/zinc/19/36/70/326193670.db2.gz LCLNGVRWIDLCEH-ZDUSSCGKSA-N 2 1 240.391 1.633 20 30 BDEDMP Cc1ccc(C[NH+]2CCC([NH3+])CC2)cc1C#N ZINC000600705597 369559510 /nfs/dbraw/zinc/55/95/10/369559510.db2.gz SGSSCELNFJQDPW-UHFFFAOYSA-N 2 1 229.327 1.790 20 30 BDEDMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C#N)o2)C[C@@H]1C[NH3+] ZINC000600767391 369562689 /nfs/dbraw/zinc/56/26/89/369562689.db2.gz ASJRRYOQAPCIHA-UTUOFQBUSA-N 2 1 247.342 1.956 20 30 BDEDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C#N)o2)C[C@@H]1C[NH3+] ZINC000600767391 369562691 /nfs/dbraw/zinc/56/26/91/369562691.db2.gz ASJRRYOQAPCIHA-UTUOFQBUSA-N 2 1 247.342 1.956 20 30 BDEDMP C[C@H](c1cccc(C#N)c1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000251530177 369849461 /nfs/dbraw/zinc/84/94/61/369849461.db2.gz MQBKTLTURHAKHE-UGFHNGPFSA-N 2 1 241.338 1.770 20 30 BDEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCC#N)[C@H](C)C1 ZINC000174777678 384363519 /nfs/dbraw/zinc/36/35/19/384363519.db2.gz OWCKBMCTAHEEJW-OLZOCXBDSA-N 2 1 223.364 1.952 20 30 BDEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCC#N)[C@H](C)C1 ZINC000174777678 384363523 /nfs/dbraw/zinc/36/35/23/384363523.db2.gz OWCKBMCTAHEEJW-OLZOCXBDSA-N 2 1 223.364 1.952 20 30 BDEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC#N)[C@H](C)C1 ZINC000174777678 384363528 /nfs/dbraw/zinc/36/35/28/384363528.db2.gz OWCKBMCTAHEEJW-OLZOCXBDSA-N 2 1 223.364 1.952 20 30 BDEDMP C=CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374420712 384572601 /nfs/dbraw/zinc/57/26/01/384572601.db2.gz METXRQODMNHYFJ-RWMBFGLXSA-N 2 1 224.348 1.356 20 30 BDEDMP CC#CCN(C)[C@H]1CCC[N@@H+](CC#CC)CC1 ZINC000156988022 385036511 /nfs/dbraw/zinc/03/65/11/385036511.db2.gz HIOODLUDRPSQBW-HNNXBMFYSA-N 2 1 232.371 1.819 20 30 BDEDMP CN(C)C(=[NH2+])NCCC[N@@H+](C)Cc1ccccc1 ZINC000170908654 385454446 /nfs/dbraw/zinc/45/44/46/385454446.db2.gz CMRZPSBYYMAVED-UHFFFAOYSA-N 2 1 248.374 1.385 20 30 BDEDMP C[C@@H](C[NH2+]Cc1cc(C#N)cs1)C[NH+](C)C ZINC000336654873 385740891 /nfs/dbraw/zinc/74/08/91/385740891.db2.gz GXGVCZLLBUUVTM-JTQLQIEISA-N 2 1 237.372 1.907 20 30 BDEDMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000309627913 385755687 /nfs/dbraw/zinc/75/56/87/385755687.db2.gz GWVKFAPFROYRAR-DGCLKSJQSA-N 2 1 221.348 1.753 20 30 BDEDMP C#CC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374313533 533152459 /nfs/dbraw/zinc/15/24/59/533152459.db2.gz AQKGTMCVSQWDAY-CYBMUJFWSA-N 2 1 232.371 1.816 20 30 BDEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000414169161 386016153 /nfs/dbraw/zinc/01/61/53/386016153.db2.gz ROGSOVNGSJSGSC-VXGBXAGGSA-N 2 1 223.364 1.856 20 30 BDEDMP CC#CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000365568262 386168992 /nfs/dbraw/zinc/16/89/92/386168992.db2.gz DRCOXBBWJNWYAL-RDBSUJKOSA-N 2 1 218.344 1.426 20 30 BDEDMP CC#CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000365568262 386168997 /nfs/dbraw/zinc/16/89/97/386168997.db2.gz DRCOXBBWJNWYAL-RDBSUJKOSA-N 2 1 218.344 1.426 20 30 BDEDMP CC#CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365568262 386169000 /nfs/dbraw/zinc/16/90/00/386169000.db2.gz DRCOXBBWJNWYAL-RDBSUJKOSA-N 2 1 218.344 1.426 20 30 BDEDMP CC#CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365568262 386169005 /nfs/dbraw/zinc/16/90/05/386169005.db2.gz DRCOXBBWJNWYAL-RDBSUJKOSA-N 2 1 218.344 1.426 20 30 BDEDMP CC(C)[N@@H+](C)C[C@H](C)N[C@H]1CC[C@H](C#N)C1 ZINC000393793432 386295792 /nfs/dbraw/zinc/29/57/92/386295792.db2.gz GNZJEQPRVOCEPG-AVGNSLFASA-N 2 1 223.364 1.997 20 30 BDEDMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1CC[C@H](C#N)C1 ZINC000393793432 386295796 /nfs/dbraw/zinc/29/57/96/386295796.db2.gz GNZJEQPRVOCEPG-AVGNSLFASA-N 2 1 223.364 1.997 20 30 BDEDMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000393793432 386295802 /nfs/dbraw/zinc/29/58/02/386295802.db2.gz GNZJEQPRVOCEPG-AVGNSLFASA-N 2 1 223.364 1.997 20 30 BDEDMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000393793432 386295805 /nfs/dbraw/zinc/29/58/05/386295805.db2.gz GNZJEQPRVOCEPG-AVGNSLFASA-N 2 1 223.364 1.997 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCOC2)CC1 ZINC000165756558 386500307 /nfs/dbraw/zinc/50/03/07/386500307.db2.gz YQSHTUVSWPLMAV-ZDUSSCGKSA-N 2 1 224.348 1.405 20 30 BDEDMP N#CC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000335447297 386514358 /nfs/dbraw/zinc/51/43/58/386514358.db2.gz DAAPWEOGLNBEIV-LBPRGKRZSA-N 2 1 207.321 1.222 20 30 BDEDMP C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185710844 386630664 /nfs/dbraw/zinc/63/06/64/386630664.db2.gz YNMUHHJVROYTRH-YPMHNXCESA-N 2 1 221.348 1.753 20 30 BDEDMP C=CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1CC1 ZINC000423526003 387355256 /nfs/dbraw/zinc/35/52/56/387355256.db2.gz UUFVDOLNACYUGY-ZIAGYGMSSA-N 2 1 237.391 1.224 20 30 BDEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[NH2+]C2)C1 ZINC000423569979 387380740 /nfs/dbraw/zinc/38/07/40/387380740.db2.gz WNCRLJTYFMIFIX-AGIUHOORSA-N 2 1 221.348 1.800 20 30 BDEDMP C=CCC[C@@H](CC)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423515192 387350901 /nfs/dbraw/zinc/35/09/01/387350901.db2.gz MUJPWHCOHNZFOF-OLZOCXBDSA-N 2 1 225.380 1.224 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCSC1 ZINC000328020043 387658289 /nfs/dbraw/zinc/65/82/89/387658289.db2.gz SDLFIDVBTLFXAM-LBPRGKRZSA-N 2 1 226.389 1.427 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCSC1 ZINC000328020043 387658295 /nfs/dbraw/zinc/65/82/95/387658295.db2.gz SDLFIDVBTLFXAM-LBPRGKRZSA-N 2 1 226.389 1.427 20 30 BDEDMP C=CCC[C@@H](CO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423165732 387948443 /nfs/dbraw/zinc/94/84/43/387948443.db2.gz UTSDGQPHKXZYSG-SRVKXCTJSA-N 2 1 212.337 1.044 20 30 BDEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424330544 387975329 /nfs/dbraw/zinc/97/53/29/387975329.db2.gz RALZAIPUQLRRMF-MBJXGIAVSA-N 2 1 235.375 1.997 20 30 BDEDMP CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CCC[NH2+]1 ZINC000424370978 387996809 /nfs/dbraw/zinc/99/68/09/387996809.db2.gz FLLWFMKPMXVYCO-RNJOBUHISA-N 2 1 221.348 1.799 20 30 BDEDMP C#CC[N@@H+](C)CCCN[C@@H](C)c1cncnc1C ZINC000491760740 388318791 /nfs/dbraw/zinc/31/87/91/388318791.db2.gz SKVAPBIANSBVGX-LBPRGKRZSA-N 2 1 246.358 1.391 20 30 BDEDMP C#CC[N@H+](C)CCCN[C@@H](C)c1cncnc1C ZINC000491760740 388318792 /nfs/dbraw/zinc/31/87/92/388318792.db2.gz SKVAPBIANSBVGX-LBPRGKRZSA-N 2 1 246.358 1.391 20 30 BDEDMP C#CC[N@@H+](C)CCCNc1cc[nH+]cc1C ZINC000328129698 388451940 /nfs/dbraw/zinc/45/19/40/388451940.db2.gz VXRTZAZETQJWDJ-UHFFFAOYSA-N 2 1 217.316 1.757 20 30 BDEDMP C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000649287099 388543125 /nfs/dbraw/zinc/54/31/25/388543125.db2.gz BYTBOFXRIXTACY-CHWSQXEVSA-N 2 1 235.331 1.457 20 30 BDEDMP C[C@H]([NH2+]CCc1cccc(C#N)c1)[C@@H]1CCC[NH2+]1 ZINC000423095763 388687720 /nfs/dbraw/zinc/68/77/20/388687720.db2.gz GALJMSBOGAOXJH-WFASDCNBSA-N 2 1 243.354 1.831 20 30 BDEDMP C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@H](C)[NH3+] ZINC000423478973 388693136 /nfs/dbraw/zinc/69/31/36/388693136.db2.gz UYODFRKGRHBSDE-RBZYPMLTSA-N 2 1 229.327 1.871 20 30 BDEDMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000423473718 388693163 /nfs/dbraw/zinc/69/31/63/388693163.db2.gz QUROEWFNPDEPSV-MFKMUULPSA-N 2 1 217.316 1.946 20 30 BDEDMP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000423424444 388693206 /nfs/dbraw/zinc/69/32/06/388693206.db2.gz FPYFQXIKEBCIRF-BARDWOONSA-N 2 1 239.322 1.353 20 30 BDEDMP C=CCC[C@@H](O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367846721 134216583 /nfs/dbraw/zinc/21/65/83/134216583.db2.gz CFPQDQVQCZBSQX-ZIAGYGMSSA-N 2 1 238.375 1.341 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367846721 134216584 /nfs/dbraw/zinc/21/65/84/134216584.db2.gz CFPQDQVQCZBSQX-ZIAGYGMSSA-N 2 1 238.375 1.341 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367846721 134216585 /nfs/dbraw/zinc/21/65/85/134216585.db2.gz CFPQDQVQCZBSQX-ZIAGYGMSSA-N 2 1 238.375 1.341 20 30 BDEDMP CC#CC[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371204194 134227636 /nfs/dbraw/zinc/22/76/36/134227636.db2.gz GDYQWKLGJQTGDV-OAHLLOKOSA-N 2 1 249.402 1.110 20 30 BDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371204194 134227637 /nfs/dbraw/zinc/22/76/37/134227637.db2.gz GDYQWKLGJQTGDV-OAHLLOKOSA-N 2 1 249.402 1.110 20 30 BDEDMP C=CCC[C@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000305082828 134239511 /nfs/dbraw/zinc/23/95/11/134239511.db2.gz MXJGEXBPJLYTAP-KGLIPLIRSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000305082828 134239512 /nfs/dbraw/zinc/23/95/12/134239512.db2.gz MXJGEXBPJLYTAP-KGLIPLIRSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000305082828 134239513 /nfs/dbraw/zinc/23/95/13/134239513.db2.gz MXJGEXBPJLYTAP-KGLIPLIRSA-N 2 1 240.391 1.587 20 30 BDEDMP C=CCNC(=[NH2+])NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000261689502 135246033 /nfs/dbraw/zinc/24/60/33/135246033.db2.gz BAHGCPWFOPVRFQ-NEPJUHHUSA-N 2 1 238.379 1.197 20 30 BDEDMP C[C@H](CNC(=[NH2+])NC1CC1)[N@H+]1CCCC[C@H]1C ZINC000261709251 135247860 /nfs/dbraw/zinc/24/78/60/135247860.db2.gz DIQWJSWIBGXHLT-GHMZBOCLSA-N 2 1 238.379 1.316 20 30 BDEDMP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000335562417 136106572 /nfs/dbraw/zinc/10/65/72/136106572.db2.gz MHBQYBWXFOVDPW-QWHCGFSZSA-N 2 1 215.300 1.528 20 30 BDEDMP N#Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000335562418 136106733 /nfs/dbraw/zinc/10/67/33/136106733.db2.gz MHBQYBWXFOVDPW-STQMWFEESA-N 2 1 215.300 1.528 20 30 BDEDMP CC(C)([NH3+])C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000335599810 136114198 /nfs/dbraw/zinc/11/41/98/136114198.db2.gz RSPHXQYQFXLQLT-CYBMUJFWSA-N 2 1 229.327 1.872 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)CCC(C)C ZINC000491655806 398054639 /nfs/dbraw/zinc/05/46/39/398054639.db2.gz ANANMKTXKLPYMQ-CQSZACIVSA-N 2 1 240.391 1.328 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)CCC(C)C ZINC000491655806 398054642 /nfs/dbraw/zinc/05/46/42/398054642.db2.gz ANANMKTXKLPYMQ-CQSZACIVSA-N 2 1 240.391 1.328 20 30 BDEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C[NH+](C)C ZINC000291756692 398103657 /nfs/dbraw/zinc/10/36/57/398103657.db2.gz QWLNDMUGWLXQKF-LBPRGKRZSA-N 2 1 231.343 1.846 20 30 BDEDMP C=CCOCC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000643479589 398106779 /nfs/dbraw/zinc/10/67/79/398106779.db2.gz VJAYKDCPTRZOTD-RYUDHWBXSA-N 2 1 212.337 1.309 20 30 BDEDMP C=CC1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000656698407 411324362 /nfs/dbraw/zinc/32/43/62/411324362.db2.gz YLAOVPSUXVJHRA-AWEZNQCLSA-N 2 1 240.391 1.586 20 30 BDEDMP C=CC1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000656698407 411324365 /nfs/dbraw/zinc/32/43/65/411324365.db2.gz YLAOVPSUXVJHRA-AWEZNQCLSA-N 2 1 240.391 1.586 20 30 BDEDMP C=CCCC[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000659942008 411506039 /nfs/dbraw/zinc/50/60/39/411506039.db2.gz RYYFWGSVZUJQRE-ZDUSSCGKSA-N 2 1 228.380 1.586 20 30 BDEDMP C=CCCC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000659942008 411506040 /nfs/dbraw/zinc/50/60/40/411506040.db2.gz RYYFWGSVZUJQRE-ZDUSSCGKSA-N 2 1 228.380 1.586 20 30 BDEDMP C=CCCC[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000659942008 411506043 /nfs/dbraw/zinc/50/60/43/411506043.db2.gz RYYFWGSVZUJQRE-ZDUSSCGKSA-N 2 1 228.380 1.586 20 30 BDEDMP C=CCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659747 411615215 /nfs/dbraw/zinc/61/52/15/411615215.db2.gz QOAVMTKVGWTNKW-CYBMUJFWSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659747 411615217 /nfs/dbraw/zinc/61/52/17/411615217.db2.gz QOAVMTKVGWTNKW-CYBMUJFWSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659747 411615218 /nfs/dbraw/zinc/61/52/18/411615218.db2.gz QOAVMTKVGWTNKW-CYBMUJFWSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)COC ZINC000661239482 411741294 /nfs/dbraw/zinc/74/12/94/411741294.db2.gz GPPPHXGMTLJINB-KBPBESRZSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)COC ZINC000661239482 411741295 /nfs/dbraw/zinc/74/12/95/411741295.db2.gz GPPPHXGMTLJINB-KBPBESRZSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)COC ZINC000661239482 411741297 /nfs/dbraw/zinc/74/12/97/411741297.db2.gz GPPPHXGMTLJINB-KBPBESRZSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H](C)COC ZINC000661239482 411741299 /nfs/dbraw/zinc/74/12/99/411741299.db2.gz GPPPHXGMTLJINB-KBPBESRZSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C(C)(C)C ZINC000661759991 411872057 /nfs/dbraw/zinc/87/20/57/411872057.db2.gz NSNFYEKEEJTUPJ-ZDUSSCGKSA-N 2 1 242.407 1.974 20 30 BDEDMP C=CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C(C)(C)C ZINC000661759991 411872059 /nfs/dbraw/zinc/87/20/59/411872059.db2.gz NSNFYEKEEJTUPJ-ZDUSSCGKSA-N 2 1 242.407 1.974 20 30 BDEDMP C=CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C(C)(C)C ZINC000661759991 411872061 /nfs/dbraw/zinc/87/20/61/411872061.db2.gz NSNFYEKEEJTUPJ-ZDUSSCGKSA-N 2 1 242.407 1.974 20 30 BDEDMP C=CCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319752 412100007 /nfs/dbraw/zinc/10/00/07/412100007.db2.gz LVLWXQUAPRLCSS-CYBMUJFWSA-N 2 1 226.364 1.605 20 30 BDEDMP C#CCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000760861091 585400212 /nfs/dbraw/zinc/40/02/12/585400212.db2.gz APBUKRJRIMDYLK-CHWSQXEVSA-N 2 1 208.349 1.672 20 30 BDEDMP C#CCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000760861091 585400213 /nfs/dbraw/zinc/40/02/13/585400213.db2.gz APBUKRJRIMDYLK-CHWSQXEVSA-N 2 1 208.349 1.672 20 30 BDEDMP C#CCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000760861091 585400214 /nfs/dbraw/zinc/40/02/14/585400214.db2.gz APBUKRJRIMDYLK-CHWSQXEVSA-N 2 1 208.349 1.672 20 30 BDEDMP Cn1c[nH+]cc1CCC[N@H+](CCC#N)CC1CC1 ZINC000566413212 326041790 /nfs/dbraw/zinc/04/17/90/326041790.db2.gz CUKFIIOIKSBWMW-UHFFFAOYSA-N 2 1 246.358 1.978 20 30 BDEDMP Cn1c[nH+]cc1CCC[N@@H+](CCC#N)CC1CC1 ZINC000566413212 326041791 /nfs/dbraw/zinc/04/17/91/326041791.db2.gz CUKFIIOIKSBWMW-UHFFFAOYSA-N 2 1 246.358 1.978 20 30 BDEDMP C=CC[NH+]1CCC(N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000568249326 326334813 /nfs/dbraw/zinc/33/48/13/326334813.db2.gz NNYMWAKFWJKPSV-OCCSQVGLSA-N 2 1 237.391 1.496 20 30 BDEDMP C=CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)COC ZINC000662299862 487546371 /nfs/dbraw/zinc/54/63/71/487546371.db2.gz YPAIEVQXIFIAGE-NWDGAFQWSA-N 2 1 212.337 1.119 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000341888216 534399837 /nfs/dbraw/zinc/39/98/37/534399837.db2.gz QBHSTLOZGCGRJX-HZSPNIEDSA-N 2 1 240.391 1.491 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000341882371 534403548 /nfs/dbraw/zinc/40/35/48/534403548.db2.gz HBGCUVHNWZUFKZ-IHRRRGAJSA-N 2 1 238.375 1.387 20 30 BDEDMP C=CCCC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000367025713 534720074 /nfs/dbraw/zinc/72/00/74/534720074.db2.gz DKXACENWNBRSCB-CHWSQXEVSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCCC[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000367025713 534720079 /nfs/dbraw/zinc/72/00/79/534720079.db2.gz DKXACENWNBRSCB-CHWSQXEVSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCCC[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000367025713 534720082 /nfs/dbraw/zinc/72/00/82/534720082.db2.gz DKXACENWNBRSCB-CHWSQXEVSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCCC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000367025713 534720087 /nfs/dbraw/zinc/72/00/87/534720087.db2.gz DKXACENWNBRSCB-CHWSQXEVSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CCCOCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000222442949 534779058 /nfs/dbraw/zinc/77/90/58/534779058.db2.gz YQINYOKNBUHTML-QWHCGFSZSA-N 2 1 226.364 1.509 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](OC)[C@H](C)CC ZINC000894863477 583535991 /nfs/dbraw/zinc/53/59/91/583535991.db2.gz FBGCIQIFQXEMPX-ZIAGYGMSSA-N 2 1 240.391 1.592 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](OC)[C@H](C)CC ZINC000894863477 583535992 /nfs/dbraw/zinc/53/59/92/583535992.db2.gz FBGCIQIFQXEMPX-ZIAGYGMSSA-N 2 1 240.391 1.592 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](OC)[C@@H](C)CC ZINC000894863476 583536193 /nfs/dbraw/zinc/53/61/93/583536193.db2.gz FBGCIQIFQXEMPX-UONOGXRCSA-N 2 1 240.391 1.592 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](OC)[C@@H](C)CC ZINC000894863476 583536195 /nfs/dbraw/zinc/53/61/95/583536195.db2.gz FBGCIQIFQXEMPX-UONOGXRCSA-N 2 1 240.391 1.592 20 30 BDEDMP N#CC1CCC(C[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000903423026 584764718 /nfs/dbraw/zinc/76/47/18/584764718.db2.gz NJCJPJSKJBVBSX-WXRRBKDZSA-N 2 1 221.348 1.597 20 30 BDEDMP N#C[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000903563702 584782533 /nfs/dbraw/zinc/78/25/33/584782533.db2.gz JSBSBSGAWQJEBS-VXGBXAGGSA-N 2 1 207.321 1.222 20 30 BDEDMP C=CC[N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903747779 584794563 /nfs/dbraw/zinc/79/45/63/584794563.db2.gz XFJGOIPQQKKEKD-LBPRGKRZSA-N 2 1 224.348 1.263 20 30 BDEDMP C#CCC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000760842304 585399425 /nfs/dbraw/zinc/39/94/25/585399425.db2.gz GEZSKXZGAOPGCC-OLZOCXBDSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000760842304 585399426 /nfs/dbraw/zinc/39/94/26/585399426.db2.gz GEZSKXZGAOPGCC-OLZOCXBDSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CCC[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000760842304 585399427 /nfs/dbraw/zinc/39/94/27/585399427.db2.gz GEZSKXZGAOPGCC-OLZOCXBDSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CCOCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000761107313 585410002 /nfs/dbraw/zinc/41/00/02/585410002.db2.gz DBEZMDWPNQSWFN-UHFFFAOYSA-N 2 1 224.348 1.054 20 30 BDEDMP C#CCOCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000761107313 585410003 /nfs/dbraw/zinc/41/00/03/585410003.db2.gz DBEZMDWPNQSWFN-UHFFFAOYSA-N 2 1 224.348 1.054 20 30 BDEDMP C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000801951007 586282444 /nfs/dbraw/zinc/28/24/44/586282444.db2.gz RGAZKCXJPJYSFD-CHWSQXEVSA-N 2 1 239.363 1.331 20 30 BDEDMP C[C@H](C#N)OCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000801951007 586282446 /nfs/dbraw/zinc/28/24/46/586282446.db2.gz RGAZKCXJPJYSFD-CHWSQXEVSA-N 2 1 239.363 1.331 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000815652551 586690799 /nfs/dbraw/zinc/69/07/99/586690799.db2.gz HVHWNHGOLGZOIS-ZIAGYGMSSA-N 2 1 233.359 1.613 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000815652551 586690800 /nfs/dbraw/zinc/69/08/00/586690800.db2.gz HVHWNHGOLGZOIS-ZIAGYGMSSA-N 2 1 233.359 1.613 20 30 BDEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000848996365 588429039 /nfs/dbraw/zinc/42/90/39/588429039.db2.gz QXBUAIVWNFVNAE-GFCCVEGCSA-N 2 1 238.379 1.407 20 30 BDEDMP C=CCNC(=[NH2+])NCC[N@H+](CC)CCC ZINC000849004232 588431816 /nfs/dbraw/zinc/43/18/16/588431816.db2.gz BBIWHHHLVSIRSS-UHFFFAOYSA-N 2 1 212.341 1.018 20 30 BDEDMP C=CCNC(=[NH2+])NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000849012632 588435478 /nfs/dbraw/zinc/43/54/78/588435478.db2.gz GTEARWQXXPOMOO-LBPRGKRZSA-N 2 1 238.379 1.264 20 30 BDEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCC ZINC000849028046 588441418 /nfs/dbraw/zinc/44/14/18/588441418.db2.gz ZCZQXSHODXSIPM-LBPRGKRZSA-N 2 1 238.379 1.551 20 30 BDEDMP C#CCOCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000851798109 588629553 /nfs/dbraw/zinc/62/95/53/588629553.db2.gz YDNYRVFNRBQTFM-OLZOCXBDSA-N 2 1 224.348 1.051 20 30 BDEDMP C#CCOCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000851798109 588629554 /nfs/dbraw/zinc/62/95/54/588629554.db2.gz YDNYRVFNRBQTFM-OLZOCXBDSA-N 2 1 224.348 1.051 20 30 BDEDMP C#CCOCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000851798109 588629555 /nfs/dbraw/zinc/62/95/55/588629555.db2.gz YDNYRVFNRBQTFM-OLZOCXBDSA-N 2 1 224.348 1.051 20 30 BDEDMP C#CCOCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000851798109 588629556 /nfs/dbraw/zinc/62/95/56/588629556.db2.gz YDNYRVFNRBQTFM-OLZOCXBDSA-N 2 1 224.348 1.051 20 30 BDEDMP C#CCOCC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000851796396 588629570 /nfs/dbraw/zinc/62/95/70/588629570.db2.gz DBVRWOIKFOZYGN-KGLIPLIRSA-N 2 1 238.375 1.441 20 30 BDEDMP C#CCOCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000851796396 588629571 /nfs/dbraw/zinc/62/95/71/588629571.db2.gz DBVRWOIKFOZYGN-KGLIPLIRSA-N 2 1 238.375 1.441 20 30 BDEDMP C#CCOCC[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000851796396 588629572 /nfs/dbraw/zinc/62/95/72/588629572.db2.gz DBVRWOIKFOZYGN-KGLIPLIRSA-N 2 1 238.375 1.441 20 30 BDEDMP C#CCOCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000851985839 588651925 /nfs/dbraw/zinc/65/19/25/588651925.db2.gz SPEKIGDSVDUFDR-CYBMUJFWSA-N 2 1 224.348 1.052 20 30 BDEDMP C#CCCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000852104808 588663835 /nfs/dbraw/zinc/66/38/35/588663835.db2.gz GAWWGMVZUHBQCG-AWEZNQCLSA-N 2 1 220.360 1.818 20 30 BDEDMP C#CCCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000852104808 588663836 /nfs/dbraw/zinc/66/38/36/588663836.db2.gz GAWWGMVZUHBQCG-AWEZNQCLSA-N 2 1 220.360 1.818 20 30 BDEDMP C#CCCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000852104808 588663837 /nfs/dbraw/zinc/66/38/37/588663837.db2.gz GAWWGMVZUHBQCG-AWEZNQCLSA-N 2 1 220.360 1.818 20 30 BDEDMP C[C@]1(C#N)CC[N@@H+](CCCCCC[NH3+])C1 ZINC000852761047 588701117 /nfs/dbraw/zinc/70/11/17/588701117.db2.gz PPGZBXYZHZDPDH-GFCCVEGCSA-N 2 1 209.337 1.741 20 30 BDEDMP C[C@H]1C(=NNCC[NH+]2CCCCC2)CC[N@H+]1C ZINC000872344267 589915626 /nfs/dbraw/zinc/91/56/26/589915626.db2.gz RCOKPJRBRLBGAV-LBPRGKRZSA-N 2 1 238.379 1.142 20 30 BDEDMP C[C@H]1C(=NNCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000872344267 589915627 /nfs/dbraw/zinc/91/56/27/589915627.db2.gz RCOKPJRBRLBGAV-LBPRGKRZSA-N 2 1 238.379 1.142 20 30 BDEDMP C=CC[C@H](C)[N@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000878865860 590635496 /nfs/dbraw/zinc/63/54/96/590635496.db2.gz OKMAEZSWLSINDF-STQMWFEESA-N 2 1 226.364 1.340 20 30 BDEDMP C=CC[C@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878865860 590635498 /nfs/dbraw/zinc/63/54/98/590635498.db2.gz OKMAEZSWLSINDF-STQMWFEESA-N 2 1 226.364 1.340 20 30 BDEDMP C=CC[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878865860 590635500 /nfs/dbraw/zinc/63/55/00/590635500.db2.gz OKMAEZSWLSINDF-STQMWFEESA-N 2 1 226.364 1.340 20 30 BDEDMP C=CC[C@H](C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000878992989 590673136 /nfs/dbraw/zinc/67/31/36/590673136.db2.gz GJLNQEZXDKXPIC-GXTWGEPZSA-N 2 1 238.375 1.482 20 30 BDEDMP C[C@H](CCC#N)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580202 590822218 /nfs/dbraw/zinc/82/22/18/590822218.db2.gz FNSGCZHSZONFBF-JHJVBQTASA-N 2 1 221.348 1.705 20 30 BDEDMP C[C@H](CCC#N)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580202 590822222 /nfs/dbraw/zinc/82/22/22/590822222.db2.gz FNSGCZHSZONFBF-JHJVBQTASA-N 2 1 221.348 1.705 20 30 BDEDMP C[C@H](CCC#N)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580202 590822225 /nfs/dbraw/zinc/82/22/25/590822225.db2.gz FNSGCZHSZONFBF-JHJVBQTASA-N 2 1 221.348 1.705 20 30 BDEDMP C[C@H](CCC#N)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580202 590822229 /nfs/dbraw/zinc/82/22/29/590822229.db2.gz FNSGCZHSZONFBF-JHJVBQTASA-N 2 1 221.348 1.705 20 30 BDEDMP C=C(C)C[C@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000883392539 591644566 /nfs/dbraw/zinc/64/45/66/591644566.db2.gz JXPOOJASJMAIKN-CYBMUJFWSA-N 2 1 238.375 1.530 20 30 BDEDMP C#CC[N@@H+]1CCC[C@H](Nc2cc[nH+]c(CO)c2)C1 ZINC000884610962 591993842 /nfs/dbraw/zinc/99/38/42/591993842.db2.gz ZJUQXHWJPNDION-ZDUSSCGKSA-N 2 1 245.326 1.083 20 30 BDEDMP C#C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000300880152 592523672 /nfs/dbraw/zinc/52/36/72/592523672.db2.gz ISUXXKKUPSZYGK-XQQFMLRXSA-N 2 1 208.349 1.717 20 30 BDEDMP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000300880152 592523674 /nfs/dbraw/zinc/52/36/74/592523674.db2.gz ISUXXKKUPSZYGK-XQQFMLRXSA-N 2 1 208.349 1.717 20 30 BDEDMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000925714956 634434799 /nfs/dbraw/zinc/43/47/99/634434799.db2.gz ZXBNPVYBPDUQFA-AWEZNQCLSA-N 2 1 243.354 1.831 20 30 BDEDMP C#CCCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308632457 631443763 /nfs/dbraw/zinc/44/37/63/631443763.db2.gz FZPDZFJBNAMZTL-UHFFFAOYSA-N 2 1 208.349 1.864 20 30 BDEDMP CCC[N@@H+](CC)CCNC(=[NH2+])N(C)C1CC1 ZINC000181476218 633916983 /nfs/dbraw/zinc/91/69/83/633916983.db2.gz LIWTWKHCDAVPSE-UHFFFAOYSA-N 2 1 226.368 1.127 20 30 BDEDMP C=C(C)C[C@@H](CO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925769120 635190354 /nfs/dbraw/zinc/19/03/54/635190354.db2.gz ATXNJBQBVQJJLQ-RYUDHWBXSA-N 2 1 224.348 1.188 20 30 BDEDMP C=C(Cl)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000085870169 636879905 /nfs/dbraw/zinc/87/99/05/636879905.db2.gz VFCLSNMVRNBRIU-UHFFFAOYSA-N 2 1 202.729 1.941 20 30 BDEDMP C=CCNC(NC[C@H](C)[NH+](C)C)=[NH+]C(C)(C)C ZINC000912497391 640108542 /nfs/dbraw/zinc/10/85/42/640108542.db2.gz SISBYTDUURAVIW-NSHDSACASA-N 2 1 240.395 1.456 20 30 BDEDMP C=CC[C@H](C)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515711 640245469 /nfs/dbraw/zinc/24/54/69/640245469.db2.gz BIBAPLUJVFBUHT-JTQLQIEISA-N 2 1 217.316 1.987 20 30 BDEDMP C=CC[C@H](C)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515711 640245474 /nfs/dbraw/zinc/24/54/74/640245474.db2.gz BIBAPLUJVFBUHT-JTQLQIEISA-N 2 1 217.316 1.987 20 30 BDEDMP CCC#C[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931721247 640338549 /nfs/dbraw/zinc/33/85/49/640338549.db2.gz LQKHDLSEKYEWQN-MJBXVCDLSA-N 2 1 220.360 1.957 20 30 BDEDMP CCC#C[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931721247 640338554 /nfs/dbraw/zinc/33/85/54/640338554.db2.gz LQKHDLSEKYEWQN-MJBXVCDLSA-N 2 1 220.360 1.957 20 30 BDEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])N(C)C1CC1 ZINC000305802295 642699989 /nfs/dbraw/zinc/69/99/89/642699989.db2.gz DVHYAFDKAYYRPE-SNVBAGLBSA-N 2 1 226.368 1.126 20 30 BDEDMP C=CCC[C@H](O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000923294945 644333060 /nfs/dbraw/zinc/33/30/60/644333060.db2.gz QWVICDXAUWMWHH-BPCQOVAHSA-N 2 1 226.364 1.515 20 30 BDEDMP C=CC[N@@H+](Cc1ccccc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923304871 644341986 /nfs/dbraw/zinc/34/19/86/644341986.db2.gz IARDGOITRSPLAM-KKUMJFAQSA-N 2 1 246.354 1.525 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000923331380 644352546 /nfs/dbraw/zinc/35/25/46/644352546.db2.gz GGGGXWKDXTVQFF-XDQVBPFNSA-N 2 1 238.375 1.373 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923355486 644373314 /nfs/dbraw/zinc/37/33/14/644373314.db2.gz MSWKATMNUCVOCK-KBPBESRZSA-N 2 1 238.375 1.389 20 30 BDEDMP C=CCC[C@H](O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000923374899 644389771 /nfs/dbraw/zinc/38/97/71/644389771.db2.gz VVRXXZNIPLNZJV-KBPBESRZSA-N 2 1 240.391 1.811 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923415267 644416423 /nfs/dbraw/zinc/41/64/23/644416423.db2.gz ROBUACAQMJFBPA-HZSPNIEDSA-N 2 1 238.375 1.387 20 30 BDEDMP CC(C)NC(=[NH2+])NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000303876317 644853274 /nfs/dbraw/zinc/85/32/74/644853274.db2.gz DWKCUHHTYWPBCE-VXGBXAGGSA-N 2 1 240.395 1.420 20 30 BDEDMP CC(C)CNC(=[NH2+])NCC[N@H+]1CCC[C@H](C)C1 ZINC000303909271 644857252 /nfs/dbraw/zinc/85/72/52/644857252.db2.gz YBHRLCBVKLCDIB-LBPRGKRZSA-N 2 1 240.395 1.279 20 30 BDEDMP CC[N@H+]1CCCC[C@@H]1CNC(NC1CC1)=[NH+]C ZINC000304083368 644869792 /nfs/dbraw/zinc/86/97/92/644869792.db2.gz ZCJOMMJNAUAVSZ-GFCCVEGCSA-N 2 1 238.379 1.188 20 30 BDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252856091 644918204 /nfs/dbraw/zinc/91/82/04/644918204.db2.gz KPLGPMPVLRHDEK-DCAQKATOSA-N 2 1 214.740 1.798 20 30 BDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252856091 644918201 /nfs/dbraw/zinc/91/82/01/644918201.db2.gz KPLGPMPVLRHDEK-DCAQKATOSA-N 2 1 214.740 1.798 20 30 BDEDMP CC(C)CCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 ZINC000304753088 644929659 /nfs/dbraw/zinc/92/96/59/644929659.db2.gz KVTZPLMOYUXFRX-GFCCVEGCSA-N 2 1 240.395 1.279 20 30 BDEDMP C=C(Cl)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000852749291 645487108 /nfs/dbraw/zinc/48/71/08/645487108.db2.gz KDTNQFOVVKQSJR-NEPJUHHUSA-N 2 1 244.766 1.567 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925707755 646431975 /nfs/dbraw/zinc/43/19/75/646431975.db2.gz RKBYTQYPBPSLNB-VOAKCMCISA-N 2 1 224.348 1.308 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCCCO ZINC000378871893 712365659 /nfs/dbraw/zinc/36/56/59/712365659.db2.gz PSBZSCHBOUCQIU-ZDUSSCGKSA-N 2 1 226.364 1.082 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCCCO ZINC000378871893 712365661 /nfs/dbraw/zinc/36/56/61/712365661.db2.gz PSBZSCHBOUCQIU-ZDUSSCGKSA-N 2 1 226.364 1.082 20 30 BDEDMP C[C@@H]1C[NH+]=C(NCCC[N@H+]2CCCC[C@@H]2C)N1 ZINC000383988000 712887655 /nfs/dbraw/zinc/88/76/55/712887655.db2.gz KYXGUVSKFXJYJI-NEPJUHHUSA-N 2 1 238.379 1.188 20 30 BDEDMP C#C[C@](C)(CC)[NH2+]CCn1cc[nH+]c1C ZINC000384185271 710806720 /nfs/dbraw/zinc/80/67/20/710806720.db2.gz RZGUBFLQOIRFGE-GFCCVEGCSA-N 2 1 205.305 1.583 20 30 BDEDMP C#CC1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000830343477 712594941 /nfs/dbraw/zinc/59/49/41/712594941.db2.gz XBUPTARKHFEIMV-UHFFFAOYSA-N 2 1 231.343 1.927 20 30 BDEDMP C#C[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000380346365 712891712 /nfs/dbraw/zinc/89/17/12/712891712.db2.gz UBHLXABISVASLU-LLVKDONJSA-N 2 1 206.333 1.472 20 30 BDEDMP N#C[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC001207438549 960093347 /nfs/dbraw/zinc/09/33/47/960093347.db2.gz AFDASCUVIOFYER-LBPRGKRZSA-N 2 1 221.348 1.612 20 30 BDEDMP C[NH+]1CCC(CC[N@@H+]2CCC[C@H](C#N)C2)CC1 ZINC001207487400 968797581 /nfs/dbraw/zinc/79/75/81/968797581.db2.gz ZQRYGWAZFZFAKS-CQSZACIVSA-N 2 1 235.375 1.954 20 30 BDEDMP C[NH+]1CCC(CC[N@H+]2CCC[C@H](C#N)C2)CC1 ZINC001207487400 968797587 /nfs/dbraw/zinc/79/75/87/968797587.db2.gz ZQRYGWAZFZFAKS-CQSZACIVSA-N 2 1 235.375 1.954 20 30 BDEDMP C=CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001252625300 968885931 /nfs/dbraw/zinc/88/59/31/968885931.db2.gz VGOXWTOGVRDSHI-AVGNSLFASA-N 2 1 226.364 1.243 20 30 BDEDMP C=CCCCC[N@H+](C)C[C@H](O)C[NH+](CC)CC ZINC001253195892 969108911 /nfs/dbraw/zinc/10/89/11/969108911.db2.gz SBNGRIPCKKYJOZ-AWEZNQCLSA-N 2 1 242.407 1.977 20 30 BDEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCCC#N)C2 ZINC001169097873 969389088 /nfs/dbraw/zinc/38/90/88/969389088.db2.gz DGFBHQDPTFTJJZ-CLLJXQQHSA-N 2 1 221.348 1.895 20 30 BDEDMP C#C[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254526620 969719145 /nfs/dbraw/zinc/71/91/45/969719145.db2.gz RYABGCDAYLVLON-ZIAGYGMSSA-N 2 1 220.360 1.816 20 30 BDEDMP C#C[C@@H]1CCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254526620 969719150 /nfs/dbraw/zinc/71/91/50/969719150.db2.gz RYABGCDAYLVLON-ZIAGYGMSSA-N 2 1 220.360 1.816 20 30 BDEDMP C#C[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254526620 969719165 /nfs/dbraw/zinc/71/91/65/969719165.db2.gz RYABGCDAYLVLON-ZIAGYGMSSA-N 2 1 220.360 1.816 20 30 BDEDMP C=C(C)C[NH2+]CCCNC(=O)CC[N@H+](C)CC ZINC001170210551 970586091 /nfs/dbraw/zinc/58/60/91/970586091.db2.gz CPXVVTFUVGXMOW-UHFFFAOYSA-N 2 1 241.379 1.000 20 30 BDEDMP C#CC[NH+](CC[C@@H]1CCC[N@@H+]1C)CC1CC1 ZINC001341490119 979433179 /nfs/dbraw/zinc/43/31/79/979433179.db2.gz GODHHEQLNNDOCL-AWEZNQCLSA-N 2 1 220.360 1.816 20 30 BDEDMP C#CC[N@@H+](CC[C@@H]1CCC[NH+]1C)CC1CC1 ZINC001341490119 979433191 /nfs/dbraw/zinc/43/31/91/979433191.db2.gz GODHHEQLNNDOCL-AWEZNQCLSA-N 2 1 220.360 1.816 20 30 BDEDMP C#CC[N@H+](CC[C@@H]1CCC[NH+]1C)CC1CC1 ZINC001341490119 979433200 /nfs/dbraw/zinc/43/32/00/979433200.db2.gz GODHHEQLNNDOCL-AWEZNQCLSA-N 2 1 220.360 1.816 20 30 BDEDMP Cc1c[nH+]c(CC[NH3+])n1C1CCC(C#N)CC1 ZINC001256953874 971032216 /nfs/dbraw/zinc/03/22/16/971032216.db2.gz QVWZFNHDNAJNEA-UHFFFAOYSA-N 2 1 232.331 1.948 20 30 BDEDMP C=CCNCC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727833 967138842 /nfs/dbraw/zinc/13/88/42/967138842.db2.gz RFPHNFJKMHVKAR-UHFFFAOYSA-N 2 1 237.391 1.228 20 30 BDEDMP C=CCNCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727833 967138849 /nfs/dbraw/zinc/13/88/49/967138849.db2.gz RFPHNFJKMHVKAR-UHFFFAOYSA-N 2 1 237.391 1.228 20 30 BDEDMP N#Cc1cccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205093854 967342633 /nfs/dbraw/zinc/34/26/33/967342633.db2.gz GRFUMMVWQQAVPR-AWEZNQCLSA-N 2 1 229.327 1.871 20 30 BDEDMP C=CCCCCCC[N@H+]1C[C@@H](N)[C@H](O)C1 ZINC001205346941 967560620 /nfs/dbraw/zinc/56/06/20/967560620.db2.gz JAMDAINVWQJIHD-VXGBXAGGSA-N 2 1 212.337 1.127 20 30 BDEDMP C=C[C@@](C)(O)C[NH+]1CCC([NH+](CC)CC)CC1 ZINC001252554695 968794913 /nfs/dbraw/zinc/79/49/13/968794913.db2.gz JVADHQUTHDXPDX-CQSZACIVSA-N 2 1 240.391 1.730 20 30 BDEDMP C#C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](CC)CC)C1 ZINC001253187824 969108785 /nfs/dbraw/zinc/10/87/85/969108785.db2.gz JQFTWLHUHGDSHN-ZIAGYGMSSA-N 2 1 238.375 1.034 20 30 BDEDMP C#C[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](CC)CC)C1 ZINC001253187824 969108788 /nfs/dbraw/zinc/10/87/88/969108788.db2.gz JQFTWLHUHGDSHN-ZIAGYGMSSA-N 2 1 238.375 1.034 20 30 BDEDMP Cc1cnc(C[NH3+])n1-c1cc[nH+]c(CC#N)c1 ZINC001169030674 969353619 /nfs/dbraw/zinc/35/36/19/969353619.db2.gz HPQBKWNBIUFIAL-UHFFFAOYSA-N 2 1 227.271 1.101 20 30 BDEDMP C=CC[NH+]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169140401 969452815 /nfs/dbraw/zinc/45/28/15/969452815.db2.gz JTAYISHOCSELCI-QDMKHBRRSA-N 2 1 249.402 1.415 20 30 BDEDMP C=CC[NH+]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169140401 969452830 /nfs/dbraw/zinc/45/28/30/969452830.db2.gz JTAYISHOCSELCI-QDMKHBRRSA-N 2 1 249.402 1.415 20 30 BDEDMP C#C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169142650 969453798 /nfs/dbraw/zinc/45/37/98/969453798.db2.gz FERHTDZTIJYSPX-APIJFGDWSA-N 2 1 232.371 1.957 20 30 BDEDMP C#C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169142650 969453802 /nfs/dbraw/zinc/45/38/02/969453802.db2.gz FERHTDZTIJYSPX-APIJFGDWSA-N 2 1 232.371 1.957 20 30 BDEDMP C[N@H+]1CCC[C@H]([NH2+]CCCS)CC1 ZINC001254507055 969652479 /nfs/dbraw/zinc/65/24/79/969652479.db2.gz DXLYOPXKSFBKIV-JTQLQIEISA-N 2 1 202.367 1.380 20 30 BDEDMP N#C[C@H]1CC[C@@H](n2c[nH+]cc2CC[NH3+])C1 ZINC001254634499 969750532 /nfs/dbraw/zinc/75/05/32/969750532.db2.gz GXYDCIZNYUEGPA-VHSXEESVSA-N 2 1 204.277 1.249 20 30 BDEDMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC001254667261 969773657 /nfs/dbraw/zinc/77/36/57/969773657.db2.gz BREJDGJLDMMSTI-UONOGXRCSA-N 2 1 235.375 1.952 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001246545762 972660501 /nfs/dbraw/zinc/66/05/01/972660501.db2.gz DABJLLCTYJAQHZ-JHJVBQTASA-N 2 1 239.338 1.832 20 30 BDEDMP N#CC1(c2ccccc2)CC([NH2+]CC2C[NH2+]C2)C1 ZINC001327838693 972754268 /nfs/dbraw/zinc/75/42/68/972754268.db2.gz AQSAUHWHQHFYDX-UHFFFAOYSA-N 2 1 241.338 1.419 20 30 BDEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCS)C2 ZINC001172101053 974334059 /nfs/dbraw/zinc/33/40/59/974334059.db2.gz WCUXPGNICRTEGT-JGPRNRPPSA-N 2 1 214.378 1.521 20 30 BDEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001172302878 974516182 /nfs/dbraw/zinc/51/61/82/974516182.db2.gz RRIZAULSIPAMFI-DOMZBBRYSA-N 2 1 243.354 1.912 20 30 BDEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1C[NH3+] ZINC001172302878 974516188 /nfs/dbraw/zinc/51/61/88/974516188.db2.gz RRIZAULSIPAMFI-DOMZBBRYSA-N 2 1 243.354 1.912 20 30 BDEDMP C=C[C@@H](COC)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC001331518479 974745418 /nfs/dbraw/zinc/74/54/18/974745418.db2.gz IKZASEMHVUGGHH-NWDGAFQWSA-N 2 1 226.364 1.650 20 30 BDEDMP C=C[C@@H](COC)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001331518479 974745426 /nfs/dbraw/zinc/74/54/26/974745426.db2.gz IKZASEMHVUGGHH-NWDGAFQWSA-N 2 1 226.364 1.650 20 30 BDEDMP C[C@@H](CCCC#N)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001172478018 974776912 /nfs/dbraw/zinc/77/69/12/974776912.db2.gz AWIGXHLARFDRAF-RYUDHWBXSA-N 2 1 209.337 1.610 20 30 BDEDMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)CCCC#N)C[C@@H]2C1 ZINC001172500894 974854671 /nfs/dbraw/zinc/85/46/71/974854671.db2.gz CCHLSHNGXPIYAT-MELADBBJSA-N 2 1 235.375 1.952 20 30 BDEDMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)CCCC#N)C[C@@H]2C1 ZINC001172500894 974854678 /nfs/dbraw/zinc/85/46/78/974854678.db2.gz CCHLSHNGXPIYAT-MELADBBJSA-N 2 1 235.375 1.952 20 30 BDEDMP CC[N@H+]1CC[C@H](NC(=[NH2+])c2ccc(F)cn2)C1 ZINC001173350818 975296485 /nfs/dbraw/zinc/29/64/85/975296485.db2.gz QLXUPNHSIIMHHI-JTQLQIEISA-N 2 1 236.294 1.020 20 30 BDEDMP CC1(C#N)CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001173584876 975428101 /nfs/dbraw/zinc/42/81/01/975428101.db2.gz PNGRYOKXTBDYTG-VOMCLLRMSA-N 2 1 207.321 1.492 20 30 BDEDMP CC1(C#N)CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001173584876 975428109 /nfs/dbraw/zinc/42/81/09/975428109.db2.gz PNGRYOKXTBDYTG-VOMCLLRMSA-N 2 1 207.321 1.492 20 30 BDEDMP CC1(C#N)CCC([N@@H+]2CCC[C@H]2C[NH3+])CC1 ZINC001173586726 975430860 /nfs/dbraw/zinc/43/08/60/975430860.db2.gz YOQBTOCELWRNCK-CPCZMJQVSA-N 2 1 221.348 1.882 20 30 BDEDMP CC1(C#N)CCC([N@H+]2CCC[C@H]2C[NH3+])CC1 ZINC001173586726 975430874 /nfs/dbraw/zinc/43/08/74/975430874.db2.gz YOQBTOCELWRNCK-CPCZMJQVSA-N 2 1 221.348 1.882 20 30 BDEDMP C[N@H+]1CC[C@@H]2CN(Cc3[nH]ccc3C#N)C[C@@H]2C1 ZINC001233043442 978427078 /nfs/dbraw/zinc/42/70/78/978427078.db2.gz JCLQOGZTZVCRHD-OLZOCXBDSA-N 2 1 244.342 1.270 20 30 BDEDMP N#Cc1cccc(CCC[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001236242888 979462597 /nfs/dbraw/zinc/46/25/97/979462597.db2.gz LYJDAOKWVOBFSO-OAHLLOKOSA-N 2 1 243.354 1.914 20 30 BDEDMP N#Cc1cccc(CCC[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001236242888 979462603 /nfs/dbraw/zinc/46/26/03/979462603.db2.gz LYJDAOKWVOBFSO-OAHLLOKOSA-N 2 1 243.354 1.914 20 30 BDEDMP C=CCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946083 983654196 /nfs/dbraw/zinc/65/41/96/983654196.db2.gz ILERCCZFYWRLRM-ZIAGYGMSSA-N 2 1 240.391 1.907 20 30 BDEDMP C=C[C@@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001253567405 984240019 /nfs/dbraw/zinc/24/00/19/984240019.db2.gz NQJCASSLVOMCQZ-CQSZACIVSA-N 2 1 238.375 1.484 20 30 BDEDMP C[N@H+](CCC(C)(C)C#N)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578461313 985095287 /nfs/dbraw/zinc/09/52/87/985095287.db2.gz JNGMNLWOEJKLQA-URLYPYJESA-N 2 1 207.321 1.076 20 30 BDEDMP C[N@@H+](CCC(C)(C)C#N)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578461313 985095300 /nfs/dbraw/zinc/09/53/00/985095300.db2.gz JNGMNLWOEJKLQA-URLYPYJESA-N 2 1 207.321 1.076 20 30 BDEDMP C[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)C[C@H]1CC[NH3+] ZINC001579440284 985929776 /nfs/dbraw/zinc/92/97/76/985929776.db2.gz SYXORUUVYXGQHM-FRRDWIJNSA-N 2 1 234.347 1.347 20 30 BDEDMP C=CCC[C@H](C)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001258718606 986043792 /nfs/dbraw/zinc/04/37/92/986043792.db2.gz RTZZGEBISJFILH-NWDGAFQWSA-N 2 1 242.363 1.601 20 30 BDEDMP C=CCC[C@@H](C)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001258720183 986046444 /nfs/dbraw/zinc/04/64/44/986046444.db2.gz TZCKDFMMYNUSEI-CQSZACIVSA-N 2 1 239.407 1.568 20 30 BDEDMP C=C[C@H](O)C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001253582553 986149087 /nfs/dbraw/zinc/14/90/87/986149087.db2.gz QCPFPNOKARXUGA-AWEZNQCLSA-N 2 1 240.391 1.586 20 30 BDEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)nc1 ZINC001580066111 986508520 /nfs/dbraw/zinc/50/85/20/986508520.db2.gz YFLOPWHFDJFDHA-GFCCVEGCSA-N 2 1 230.315 1.042 20 30 BDEDMP N#Cc1ccnc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC001580081222 986528169 /nfs/dbraw/zinc/52/81/69/986528169.db2.gz XKUMYAVKIBPMDR-LBPRGKRZSA-N 2 1 244.342 1.514 20 30 BDEDMP C=CCC[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001245987751 987264967 /nfs/dbraw/zinc/26/49/67/987264967.db2.gz BWZSWNBVMSXJCO-AGIUHOORSA-N 2 1 226.364 1.291 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246018719 987306256 /nfs/dbraw/zinc/30/62/56/987306256.db2.gz FTFSYQWAPFABIL-GHMZBOCLSA-N 2 1 248.317 1.229 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001246024055 987317810 /nfs/dbraw/zinc/31/78/10/987317810.db2.gz PVUCJKALMBJMCW-XQQFMLRXSA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001246024055 987317819 /nfs/dbraw/zinc/31/78/19/987317819.db2.gz PVUCJKALMBJMCW-XQQFMLRXSA-N 2 1 226.364 1.373 20 30 BDEDMP C[NH+]1CCC([NH2+]CC(C)(C)CC#N)CC1 ZINC001474571312 987765810 /nfs/dbraw/zinc/76/58/10/987765810.db2.gz QBPVSEMXJIDTQC-UHFFFAOYSA-N 2 1 209.337 1.610 20 30 BDEDMP N#Cc1cc(C[NH2+]C2CC[NH2+]CC2)cs1 ZINC001246395440 987783002 /nfs/dbraw/zinc/78/30/02/987783002.db2.gz MLSBAGOJBGNGMQ-UHFFFAOYSA-N 2 1 221.329 1.461 20 30 BDEDMP C#CC1([NH2+][C@H]2CCCNC2)CCCCC1 ZINC001246465407 987822634 /nfs/dbraw/zinc/82/26/34/987822634.db2.gz YLCMIQUVVVXWLT-LBPRGKRZSA-N 2 1 206.333 1.664 20 30 BDEDMP C[C@H](CCCC#N)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246540370 987901515 /nfs/dbraw/zinc/90/15/15/987901515.db2.gz DNLPUGCYCHMQNG-OLZOCXBDSA-N 2 1 239.363 1.244 20 30 BDEDMP C[C@H]1C[N@H+](C2CCC(C#N)CC2)C[C@H]1C[NH3+] ZINC001246540749 987902768 /nfs/dbraw/zinc/90/27/68/987902768.db2.gz KCVQZAMZCGUBOF-GMKTYKIGSA-N 2 1 221.348 1.595 20 30 BDEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246542779 987908965 /nfs/dbraw/zinc/90/89/65/987908965.db2.gz KZKDPSDDDNBXQQ-STQMWFEESA-N 2 1 226.364 1.517 20 30 BDEDMP C=CCC[C@@H](C)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246565613 988020771 /nfs/dbraw/zinc/02/07/71/988020771.db2.gz ZCYCLBRYZZFRFV-CHWSQXEVSA-N 2 1 226.364 1.517 20 30 BDEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CC(C)(C[NH3+])C1 ZINC001246587153 988149274 /nfs/dbraw/zinc/14/92/74/988149274.db2.gz FSRMKUFRXYKMQL-GFCCVEGCSA-N 2 1 243.354 1.770 20 30 BDEDMP N#CCC1CCC([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246856406 988582842 /nfs/dbraw/zinc/58/28/42/988582842.db2.gz XAKOJOUFZONXRG-YIOUJQMASA-N 2 1 233.359 1.882 20 30 BDEDMP CC1(C#N)CCC([N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246872455 988632558 /nfs/dbraw/zinc/63/25/58/988632558.db2.gz SARCNOATPZYCPC-IKWCTNDRSA-N 2 1 219.332 1.492 20 30 BDEDMP CC1(C#N)CCC([N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246872455 988632572 /nfs/dbraw/zinc/63/25/72/988632572.db2.gz SARCNOATPZYCPC-IKWCTNDRSA-N 2 1 219.332 1.492 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)C1 ZINC001247016809 988845571 /nfs/dbraw/zinc/84/55/71/988845571.db2.gz XZNDQTKQVBKDJH-MQYQWHSLSA-N 2 1 233.359 1.753 20 30 BDEDMP C#CCC[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001120492832 989674919 /nfs/dbraw/zinc/67/49/19/989674919.db2.gz PVTLRZKOAZIRQK-OAHLLOKOSA-N 2 1 246.354 1.092 20 30 BDEDMP C#CCC[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001120492832 989674941 /nfs/dbraw/zinc/67/49/41/989674941.db2.gz PVTLRZKOAZIRQK-OAHLLOKOSA-N 2 1 246.354 1.092 20 30 BDEDMP CCC#C[C@@H](C)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001560136917 991394321 /nfs/dbraw/zinc/39/43/21/991394321.db2.gz LQKHDLSEKYEWQN-HZSPNIEDSA-N 2 1 220.360 1.957 20 30 BDEDMP C#CCOCC[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC001319670212 991925416 /nfs/dbraw/zinc/92/54/16/991925416.db2.gz HRCCFIARSLSVMN-CYBMUJFWSA-N 2 1 224.348 1.052 20 30 BDEDMP C#CCOCC[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC001319670212 991925431 /nfs/dbraw/zinc/92/54/31/991925431.db2.gz HRCCFIARSLSVMN-CYBMUJFWSA-N 2 1 224.348 1.052 20 30 BDEDMP C#CCOCC[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC001319670212 991925449 /nfs/dbraw/zinc/92/54/49/991925449.db2.gz HRCCFIARSLSVMN-CYBMUJFWSA-N 2 1 224.348 1.052 20 30 BDEDMP C#CCOCC[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC001319670212 991925469 /nfs/dbraw/zinc/92/54/69/991925469.db2.gz HRCCFIARSLSVMN-CYBMUJFWSA-N 2 1 224.348 1.052 20 30 BDEDMP C#CCOCC[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC001319670213 991928014 /nfs/dbraw/zinc/92/80/14/991928014.db2.gz HRCCFIARSLSVMN-ZDUSSCGKSA-N 2 1 224.348 1.052 20 30 BDEDMP C#CCOCC[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC001319670213 991928028 /nfs/dbraw/zinc/92/80/28/991928028.db2.gz HRCCFIARSLSVMN-ZDUSSCGKSA-N 2 1 224.348 1.052 20 30 BDEDMP C#CCOCC[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC001319670213 991928037 /nfs/dbraw/zinc/92/80/37/991928037.db2.gz HRCCFIARSLSVMN-ZDUSSCGKSA-N 2 1 224.348 1.052 20 30 BDEDMP C#CCOCC[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC001319670213 991928049 /nfs/dbraw/zinc/92/80/49/991928049.db2.gz HRCCFIARSLSVMN-ZDUSSCGKSA-N 2 1 224.348 1.052 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]CC1(OC)CCC1 ZINC001262111416 992681533 /nfs/dbraw/zinc/68/15/33/992681533.db2.gz FNISRHBYEYLFFS-UHFFFAOYSA-N 2 1 224.348 1.100 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]CC1(OC)CCC1 ZINC001262111416 992681526 /nfs/dbraw/zinc/68/15/26/992681526.db2.gz FNISRHBYEYLFFS-UHFFFAOYSA-N 2 1 224.348 1.100 20 30 BDEDMP C#C[C@H]1CCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001574505259 992873679 /nfs/dbraw/zinc/87/36/79/992873679.db2.gz SNGBRRCKUWWHBS-RWMBFGLXSA-N 2 1 206.333 1.459 20 30 BDEDMP C=C(C)COCC[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001574836967 992925911 /nfs/dbraw/zinc/92/59/11/992925911.db2.gz XUMDPIBKACCCJK-VIFPVBQESA-N 2 1 240.269 1.448 20 30 BDEDMP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001574835725 992923171 /nfs/dbraw/zinc/92/31/71/992923171.db2.gz FGMLRVIJUVGPLU-STQMWFEESA-N 2 1 208.349 1.884 20 30 BDEDMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001576120361 993187011 /nfs/dbraw/zinc/18/70/11/993187011.db2.gz SWIUONSOOTTWCV-ZYHUDNBSSA-N 2 1 230.315 1.122 20 30 BDEDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001576120361 993187016 /nfs/dbraw/zinc/18/70/16/993187016.db2.gz SWIUONSOOTTWCV-ZYHUDNBSSA-N 2 1 230.315 1.122 20 30 BDEDMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000381761851 993424103 /nfs/dbraw/zinc/42/41/03/993424103.db2.gz UCSFMMVIDDZGNY-AGIUHOORSA-N 2 1 221.348 1.753 20 30 BDEDMP C#C[C@@](C)(CC)[NH2+]C[C@@H](O)C[NH+](CC)CC ZINC000384222729 993557180 /nfs/dbraw/zinc/55/71/80/993557180.db2.gz SYVOFKFCZPEHJW-OLZOCXBDSA-N 2 1 226.364 1.081 20 30 BDEDMP C=CCC[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC001308134484 995561589 /nfs/dbraw/zinc/56/15/89/995561589.db2.gz BMOUVWUCLQRSSJ-UONOGXRCSA-N 2 1 240.391 1.730 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CC(CC)C1 ZINC000378853180 346844912 /nfs/dbraw/zinc/84/49/12/346844912.db2.gz HQQGZUXXLFWDFS-UHFFFAOYSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C1CC(CC)C1 ZINC000378853180 346844913 /nfs/dbraw/zinc/84/49/13/346844913.db2.gz HQQGZUXXLFWDFS-UHFFFAOYSA-N 2 1 208.349 1.720 20 30 BDEDMP C[C@H](CCC#N)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000602582136 349610129 /nfs/dbraw/zinc/61/01/29/349610129.db2.gz OFAJOWRLJHDRTH-GFCCVEGCSA-N 2 1 221.348 1.778 20 30 BDEDMP C[N@@H+]1CC=C(C[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602582073 349610159 /nfs/dbraw/zinc/61/01/59/349610159.db2.gz NMWYHKCDNRJMDU-UHFFFAOYSA-N 2 1 233.359 1.920 20 30 BDEDMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336684602 346912587 /nfs/dbraw/zinc/91/25/87/346912587.db2.gz SVAQJNYYWNNJJL-STQMWFEESA-N 2 1 223.364 1.999 20 30 BDEDMP C[C@@H](CCC#N)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602878515 349789813 /nfs/dbraw/zinc/78/98/13/349789813.db2.gz XUFLOKKXBRFLMI-QWHCGFSZSA-N 2 1 239.363 1.067 20 30 BDEDMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602981860 349832890 /nfs/dbraw/zinc/83/28/90/349832890.db2.gz KNJGGQLCSIDRNP-TZMCWYRMSA-N 2 1 246.358 1.977 20 30 BDEDMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602981860 349832892 /nfs/dbraw/zinc/83/28/92/349832892.db2.gz KNJGGQLCSIDRNP-TZMCWYRMSA-N 2 1 246.358 1.977 20 30 BDEDMP C=CCSCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000129346523 344212918 /nfs/dbraw/zinc/21/29/18/344212918.db2.gz WVFKNJNGFQMWOL-RYUDHWBXSA-N 2 1 228.405 1.835 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](C)COC)CC1 ZINC000187823760 346620513 /nfs/dbraw/zinc/62/05/13/346620513.db2.gz IWZQGYCPNBEZGA-CYBMUJFWSA-N 2 1 240.391 1.899 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623483551 362907294 /nfs/dbraw/zinc/90/72/94/362907294.db2.gz KERAAGPUISINIY-QWHCGFSZSA-N 2 1 240.391 1.633 20 30 BDEDMP C=CCCSCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000596651927 348605892 /nfs/dbraw/zinc/60/58/92/348605892.db2.gz SCONMTRYTUINBB-NWDGAFQWSA-N 2 1 228.405 1.883 20 30 BDEDMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)CC#N ZINC000309380900 350361460 /nfs/dbraw/zinc/36/14/60/350361460.db2.gz RYBDNQQUCHZVKC-LLVKDONJSA-N 2 1 220.320 1.864 20 30 BDEDMP CC[N@H+]1CC[C@H](N(C)CC2(C#N)CC2)[C@@H](C)C1 ZINC000343296479 353407413 /nfs/dbraw/zinc/40/74/13/353407413.db2.gz DGJXSAQJMGDJCD-STQMWFEESA-N 2 1 235.375 1.952 20 30 BDEDMP C#CC(C)(C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000285996961 353555542 /nfs/dbraw/zinc/55/55/42/353555542.db2.gz GBHWNVDGGHLIDG-UHFFFAOYSA-N 2 1 219.332 1.925 20 30 BDEDMP C#CC(C)(C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000285996961 353555546 /nfs/dbraw/zinc/55/55/46/353555546.db2.gz GBHWNVDGGHLIDG-UHFFFAOYSA-N 2 1 219.332 1.925 20 30 BDEDMP O=C(CCc1ncc[nH]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329250005 355907026 /nfs/dbraw/zinc/90/70/26/355907026.db2.gz UDLZIRHUZOFYPL-JTQLQIEISA-N 2 1 248.330 1.536 20 30 BDEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C1 ZINC000329518979 355927114 /nfs/dbraw/zinc/92/71/14/355927114.db2.gz NTKUEIPAXAWNBA-OUAUKWLOSA-N 2 1 230.315 1.549 20 30 BDEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329132619 355898494 /nfs/dbraw/zinc/89/84/94/355898494.db2.gz AUHBMAOZHMSQOL-BXKDBHETSA-N 2 1 248.330 1.318 20 30 BDEDMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000329132619 355898496 /nfs/dbraw/zinc/89/84/96/355898496.db2.gz AUHBMAOZHMSQOL-BXKDBHETSA-N 2 1 248.330 1.318 20 30 BDEDMP C=CCCC[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420379287 192233501 /nfs/dbraw/zinc/23/35/01/192233501.db2.gz MZGSORGCTATLSK-ZDUSSCGKSA-N 2 1 249.362 1.340 20 30 BDEDMP COc1cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])ccc1C#N ZINC000423124306 192576388 /nfs/dbraw/zinc/57/63/88/192576388.db2.gz OEGWBCNYIUPSKO-STQMWFEESA-N 2 1 245.326 1.536 20 30 BDEDMP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])ccc1C#N ZINC000423124303 192576599 /nfs/dbraw/zinc/57/65/99/192576599.db2.gz OEGWBCNYIUPSKO-CHWSQXEVSA-N 2 1 245.326 1.536 20 30 BDEDMP C=CCCCCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000234285358 357778651 /nfs/dbraw/zinc/77/86/51/357778651.db2.gz PFDPEYDNVOXFDQ-UHFFFAOYSA-N 2 1 239.407 1.570 20 30 BDEDMP C#CCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371185206 134227341 /nfs/dbraw/zinc/22/73/41/134227341.db2.gz QTVSERKVRDLAGI-BFHYXJOUSA-N 2 1 236.359 1.193 20 30 BDEDMP CC#CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375758537 134240519 /nfs/dbraw/zinc/24/05/19/134240519.db2.gz OWSCGCNCLWJXMA-PBWFPOADSA-N 2 1 220.360 1.957 20 30 BDEDMP CC#CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375758537 134240520 /nfs/dbraw/zinc/24/05/20/134240520.db2.gz OWSCGCNCLWJXMA-PBWFPOADSA-N 2 1 220.360 1.957 20 30 BDEDMP CC#CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375758537 134240521 /nfs/dbraw/zinc/24/05/21/134240521.db2.gz OWSCGCNCLWJXMA-PBWFPOADSA-N 2 1 220.360 1.957 20 30 BDEDMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000131509336 358448903 /nfs/dbraw/zinc/44/89/03/358448903.db2.gz LOTLOAKMHWZMTE-BXUZGUMPSA-N 2 1 229.327 1.870 20 30 BDEDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000131509336 358448909 /nfs/dbraw/zinc/44/89/09/358448909.db2.gz LOTLOAKMHWZMTE-BXUZGUMPSA-N 2 1 229.327 1.870 20 30 BDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246892866 359173714 /nfs/dbraw/zinc/17/37/14/359173714.db2.gz RBGSKUBWRZXTTO-GXTWGEPZSA-N 2 1 218.344 1.568 20 30 BDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246892866 359173718 /nfs/dbraw/zinc/17/37/18/359173718.db2.gz RBGSKUBWRZXTTO-GXTWGEPZSA-N 2 1 218.344 1.568 20 30 BDEDMP C#CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246892866 359173722 /nfs/dbraw/zinc/17/37/22/359173722.db2.gz RBGSKUBWRZXTTO-GXTWGEPZSA-N 2 1 218.344 1.568 20 30 BDEDMP C#CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246892866 359173728 /nfs/dbraw/zinc/17/37/28/359173728.db2.gz RBGSKUBWRZXTTO-GXTWGEPZSA-N 2 1 218.344 1.568 20 30 BDEDMP C[N@H+](CCCC#N)C[C@@H]1CCC[NH+](C)C1 ZINC000152444765 201198152 /nfs/dbraw/zinc/19/81/52/201198152.db2.gz WIXQVMKJESFDPO-LBPRGKRZSA-N 2 1 209.337 1.564 20 30 BDEDMP C[N@@H+](CCCC#N)C[C@@H]1CCC[NH+](C)C1 ZINC000152444765 201198154 /nfs/dbraw/zinc/19/81/54/201198154.db2.gz WIXQVMKJESFDPO-LBPRGKRZSA-N 2 1 209.337 1.564 20 30 BDEDMP C[NH+](CCCC#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000152444765 201198158 /nfs/dbraw/zinc/19/81/58/201198158.db2.gz WIXQVMKJESFDPO-LBPRGKRZSA-N 2 1 209.337 1.564 20 30 BDEDMP C[NH+](CCCC#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152444765 201198160 /nfs/dbraw/zinc/19/81/60/201198160.db2.gz WIXQVMKJESFDPO-LBPRGKRZSA-N 2 1 209.337 1.564 20 30 BDEDMP C[N@@H+](CCCCC#N)C[C@@H]1CCC[NH+](C)C1 ZINC000152365433 201199418 /nfs/dbraw/zinc/19/94/18/201199418.db2.gz YLBIPOGBOGCZTE-ZDUSSCGKSA-N 2 1 223.364 1.954 20 30 BDEDMP C[NH+](CCCCC#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000152365433 201199421 /nfs/dbraw/zinc/19/94/21/201199421.db2.gz YLBIPOGBOGCZTE-ZDUSSCGKSA-N 2 1 223.364 1.954 20 30 BDEDMP C[NH+](CCCCC#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152365433 201199423 /nfs/dbraw/zinc/19/94/23/201199423.db2.gz YLBIPOGBOGCZTE-ZDUSSCGKSA-N 2 1 223.364 1.954 20 30 BDEDMP C[NH2+]CCOCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000600777713 369565926 /nfs/dbraw/zinc/56/59/26/369565926.db2.gz WKRFXKWCXXINLU-UHFFFAOYSA-N 2 1 247.342 1.226 20 30 BDEDMP C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1c[nH+]ccc1N ZINC000424378892 206038739 /nfs/dbraw/zinc/03/87/39/206038739.db2.gz UFAJTCMHFJMXJA-GARJFASQSA-N 2 1 230.315 1.837 20 30 BDEDMP C#CCC[NH+]1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000371207591 533046752 /nfs/dbraw/zinc/04/67/52/533046752.db2.gz LFRGHEICOHMSGH-CYBMUJFWSA-N 2 1 220.360 1.958 20 30 BDEDMP C#CCC[NH+]1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000371207591 533046754 /nfs/dbraw/zinc/04/67/54/533046754.db2.gz LFRGHEICOHMSGH-CYBMUJFWSA-N 2 1 220.360 1.958 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C)C2)CC1 ZINC000647181014 384554641 /nfs/dbraw/zinc/55/46/41/384554641.db2.gz FKMNFVUQSPTZPF-JSGCOSHPSA-N 2 1 238.375 1.794 20 30 BDEDMP C#CC[N@@H+](C)CCCNc1cc(CC)[nH+]c(C)n1 ZINC000292800609 533109279 /nfs/dbraw/zinc/10/92/79/533109279.db2.gz NFPZNOBDFDUFHD-UHFFFAOYSA-N 2 1 246.358 1.714 20 30 BDEDMP C#CC[N@H+](C)CCCNc1cc(CC)[nH+]c(C)n1 ZINC000292800609 533109283 /nfs/dbraw/zinc/10/92/83/533109283.db2.gz NFPZNOBDFDUFHD-UHFFFAOYSA-N 2 1 246.358 1.714 20 30 BDEDMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000335023571 385984121 /nfs/dbraw/zinc/98/41/21/385984121.db2.gz RRGLUYLHJZRMLM-RYSNWHEDSA-N 2 1 235.375 1.904 20 30 BDEDMP C[NH+](C)CCC[NH2+]Cc1cc(C#N)cs1 ZINC000086500113 386162406 /nfs/dbraw/zinc/16/24/06/386162406.db2.gz FEBCCNDRFDQVDD-UHFFFAOYSA-N 2 1 223.345 1.661 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCOCC1 ZINC000392810010 387291044 /nfs/dbraw/zinc/29/10/44/387291044.db2.gz UQVWRKLJRJWNMG-ZDUSSCGKSA-N 2 1 224.348 1.100 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCOCC1 ZINC000392810010 387291047 /nfs/dbraw/zinc/29/10/47/387291047.db2.gz UQVWRKLJRJWNMG-ZDUSSCGKSA-N 2 1 224.348 1.100 20 30 BDEDMP C=CCCCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423517852 387350938 /nfs/dbraw/zinc/35/09/38/387350938.db2.gz OHURVYBHTUJNMA-ZIAGYGMSSA-N 2 1 239.407 1.615 20 30 BDEDMP C=C(C)COCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422985784 387796241 /nfs/dbraw/zinc/79/62/41/387796241.db2.gz AHGQOHVJEQMKHW-LLVKDONJSA-N 2 1 235.331 1.737 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC12CCC2 ZINC000393214171 387877554 /nfs/dbraw/zinc/87/75/54/387877554.db2.gz KNPUWFAKHXWZHU-CYBMUJFWSA-N 2 1 220.360 1.864 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC12CCC2 ZINC000393214171 387877558 /nfs/dbraw/zinc/87/75/58/387877558.db2.gz KNPUWFAKHXWZHU-CYBMUJFWSA-N 2 1 220.360 1.864 20 30 BDEDMP C=C(CC)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423167475 387952506 /nfs/dbraw/zinc/95/25/06/387952506.db2.gz WSURDGMHTKUZDL-MJBXVCDLSA-N 2 1 238.375 1.699 20 30 BDEDMP C=C(CC)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423167474 387951692 /nfs/dbraw/zinc/95/16/92/387951692.db2.gz WSURDGMHTKUZDL-MGPQQGTHSA-N 2 1 238.375 1.699 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000453350117 388055460 /nfs/dbraw/zinc/05/54/60/388055460.db2.gz IWALGCCNCKSOGH-RVMXOQNASA-N 2 1 224.348 1.402 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000453350117 388055463 /nfs/dbraw/zinc/05/54/63/388055463.db2.gz IWALGCCNCKSOGH-RVMXOQNASA-N 2 1 224.348 1.402 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000453350120 388055646 /nfs/dbraw/zinc/05/56/46/388055646.db2.gz IWALGCCNCKSOGH-XQHKEYJVSA-N 2 1 224.348 1.402 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000453350120 388055648 /nfs/dbraw/zinc/05/56/48/388055648.db2.gz IWALGCCNCKSOGH-XQHKEYJVSA-N 2 1 224.348 1.402 20 30 BDEDMP C#CCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000490780865 388254279 /nfs/dbraw/zinc/25/42/79/388254279.db2.gz SDOAUZQPUPHKFM-ZDUSSCGKSA-N 2 1 206.333 1.283 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H](C)C1 ZINC000328130803 388451295 /nfs/dbraw/zinc/45/12/95/388451295.db2.gz WLKJBSQBCUZYPA-STQMWFEESA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@H](C)C1 ZINC000328130803 388451296 /nfs/dbraw/zinc/45/12/96/388451296.db2.gz WLKJBSQBCUZYPA-STQMWFEESA-N 2 1 208.349 1.720 20 30 BDEDMP C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000649287100 388543747 /nfs/dbraw/zinc/54/37/47/388543747.db2.gz BYTBOFXRIXTACY-OLZOCXBDSA-N 2 1 235.331 1.457 20 30 BDEDMP COc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)ccc1C#N ZINC000414803866 388665513 /nfs/dbraw/zinc/66/55/13/388665513.db2.gz WYBQNYUCAYIMKE-ZDUSSCGKSA-N 2 1 247.342 1.640 20 30 BDEDMP COc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1C#N ZINC000414884070 388666097 /nfs/dbraw/zinc/66/60/97/388666097.db2.gz VLWHIHHPQMRYJL-UHFFFAOYSA-N 2 1 245.326 1.538 20 30 BDEDMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000423478972 388692681 /nfs/dbraw/zinc/69/26/81/388692681.db2.gz UYODFRKGRHBSDE-PKFCDNJMSA-N 2 1 229.327 1.871 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000153021558 388920937 /nfs/dbraw/zinc/92/09/37/388920937.db2.gz NMVQPMCITOVNKI-AWEZNQCLSA-N 2 1 238.375 1.796 20 30 BDEDMP C=C(C)CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000352024647 134041879 /nfs/dbraw/zinc/04/18/79/134041879.db2.gz IBVGQGMSIRBBMC-UHFFFAOYSA-N 2 1 240.391 1.731 20 30 BDEDMP C=C(C)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369353058 134222343 /nfs/dbraw/zinc/22/23/43/134222343.db2.gz GVMMNOKRQNYTMZ-CQSZACIVSA-N 2 1 237.391 1.274 20 30 BDEDMP C=C(C)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369353058 134222344 /nfs/dbraw/zinc/22/23/44/134222344.db2.gz GVMMNOKRQNYTMZ-CQSZACIVSA-N 2 1 237.391 1.274 20 30 BDEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C)[NH+](C)C)c1 ZINC000264103085 135133184 /nfs/dbraw/zinc/13/31/84/135133184.db2.gz OODRWEBSXHPSIZ-GFCCVEGCSA-N 2 1 248.374 1.980 20 30 BDEDMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(C#N)cc1 ZINC000261561750 135202852 /nfs/dbraw/zinc/20/28/52/135202852.db2.gz ATTZMYLLAKVHQY-SNVBAGLBSA-N 2 1 217.316 1.946 20 30 BDEDMP C[NH+](CC#CC[N@H+](C)CC1CC1)CC1CC1 ZINC000341834236 135243023 /nfs/dbraw/zinc/24/30/23/135243023.db2.gz RDNGFGJEENCLCP-UHFFFAOYSA-N 2 1 220.360 1.673 20 30 BDEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000651953045 409573030 /nfs/dbraw/zinc/57/30/30/409573030.db2.gz OHHPSIYLKUCPOD-UPJWGTAASA-N 2 1 226.364 1.243 20 30 BDEDMP C=CCOCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000302387510 409946709 /nfs/dbraw/zinc/94/67/09/409946709.db2.gz MRRKOIHOINVCEV-KBPBESRZSA-N 2 1 232.327 1.923 20 30 BDEDMP C#CC[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363661288 166158451 /nfs/dbraw/zinc/15/84/51/166158451.db2.gz UFZDDDUBTKYGPT-UHFFFAOYSA-N 2 1 236.359 1.195 20 30 BDEDMP C#CC[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363661288 166158456 /nfs/dbraw/zinc/15/84/56/166158456.db2.gz UFZDDDUBTKYGPT-UHFFFAOYSA-N 2 1 236.359 1.195 20 30 BDEDMP C=CC[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345571 411208852 /nfs/dbraw/zinc/20/88/52/411208852.db2.gz GBHPYJUEAVGVKT-YNEHKIRRSA-N 2 1 224.348 1.391 20 30 BDEDMP C=CCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658116101 411248932 /nfs/dbraw/zinc/24/89/32/411248932.db2.gz YSOWMGLFXIENQI-ZDUSSCGKSA-N 2 1 224.348 1.405 20 30 BDEDMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000309940020 170017452 /nfs/dbraw/zinc/01/74/52/170017452.db2.gz BJSYWJPDITXCPZ-XQQFMLRXSA-N 2 1 221.348 1.610 20 30 BDEDMP C=CC[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000662298977 412086329 /nfs/dbraw/zinc/08/63/29/412086329.db2.gz ICSJWXPKDJJWAN-CQSZACIVSA-N 2 1 237.391 1.180 20 30 BDEDMP C#C[C@@H](C)N(C)CCC[N@@H+](C)[C@@H](C)C#C ZINC000491713270 229207571 /nfs/dbraw/zinc/20/75/71/229207571.db2.gz ZSZPVQXZUSSRFR-BETUJISGSA-N 2 1 206.333 1.284 20 30 BDEDMP C#C[C@@H](C)[N@@H+](C)CCCN(C)[C@@H](C)C#C ZINC000491713270 229207575 /nfs/dbraw/zinc/20/75/75/229207575.db2.gz ZSZPVQXZUSSRFR-BETUJISGSA-N 2 1 206.333 1.284 20 30 BDEDMP C#C[C@@H](C)[N@H+](C)CCCN(C)[C@@H](C)C#C ZINC000491713270 229207578 /nfs/dbraw/zinc/20/75/78/229207578.db2.gz ZSZPVQXZUSSRFR-BETUJISGSA-N 2 1 206.333 1.284 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000535758006 323190470 /nfs/dbraw/zinc/19/04/70/323190470.db2.gz OQKFYGUNJWALBI-QWHCGFSZSA-N 2 1 249.358 1.537 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000535758007 323190487 /nfs/dbraw/zinc/19/04/87/323190487.db2.gz OQKFYGUNJWALBI-STQMWFEESA-N 2 1 249.358 1.537 20 30 BDEDMP C[N@@H+](CCn1ccnc1)Cc1ccc(C#N)cc1 ZINC000130554357 325066449 /nfs/dbraw/zinc/06/64/49/325066449.db2.gz KCMKEJDCUKPNMT-UHFFFAOYSA-N 2 1 240.310 1.887 20 30 BDEDMP COCC#CCN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000677819326 487516130 /nfs/dbraw/zinc/51/61/30/487516130.db2.gz YBHFHIYQNULRLK-GFCCVEGCSA-N 2 1 233.315 1.239 20 30 BDEDMP C=CCCC[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308825521 491138281 /nfs/dbraw/zinc/13/82/81/491138281.db2.gz DNQOJSHYZZBZEL-RWMBFGLXSA-N 2 1 208.349 1.882 20 30 BDEDMP C=CCOCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000339061993 534877930 /nfs/dbraw/zinc/87/79/30/534877930.db2.gz SQSUBHLUNLOCLE-UHFFFAOYSA-N 2 1 238.375 1.749 20 30 BDEDMP C=CCOCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000339061993 534877932 /nfs/dbraw/zinc/87/79/32/534877932.db2.gz SQSUBHLUNLOCLE-UHFFFAOYSA-N 2 1 238.375 1.749 20 30 BDEDMP C#CC[NH+](CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000491752322 526901495 /nfs/dbraw/zinc/90/14/95/526901495.db2.gz LYXOYAMLLQLVPU-GFCCVEGCSA-N 2 1 206.333 1.568 20 30 BDEDMP C#CC[NH+](CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000491752322 526901498 /nfs/dbraw/zinc/90/14/98/526901498.db2.gz LYXOYAMLLQLVPU-GFCCVEGCSA-N 2 1 206.333 1.568 20 30 BDEDMP C#CC[N@@H+](CC[C@H]1CCC[NH+]1C)C1CC1 ZINC000491752322 526901504 /nfs/dbraw/zinc/90/15/04/526901504.db2.gz LYXOYAMLLQLVPU-GFCCVEGCSA-N 2 1 206.333 1.568 20 30 BDEDMP C#CC[N@H+](CC[C@H]1CCC[NH+]1C)C1CC1 ZINC000491752322 526901508 /nfs/dbraw/zinc/90/15/08/526901508.db2.gz LYXOYAMLLQLVPU-GFCCVEGCSA-N 2 1 206.333 1.568 20 30 BDEDMP C=CCCOCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400523819 527368079 /nfs/dbraw/zinc/36/80/79/527368079.db2.gz PGCCLUWLHMQPQA-NEPJUHHUSA-N 2 1 212.337 1.309 20 30 BDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[C@@H]1C ZINC000261992380 535550034 /nfs/dbraw/zinc/55/00/34/535550034.db2.gz MNOIFRNELUKORE-SDDRHHMPSA-N 2 1 238.379 1.031 20 30 BDEDMP C#CCSCC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000222109002 582666541 /nfs/dbraw/zinc/66/65/41/582666541.db2.gz UXOWSGQBGWNRRL-QWHCGFSZSA-N 2 1 240.416 1.673 20 30 BDEDMP CCCNC(=[NH2+])NCC[N@@H+](C)[C@@H](C)CC ZINC000104191474 583162577 /nfs/dbraw/zinc/16/25/77/583162577.db2.gz IEIHLPCFMHBSAP-JTQLQIEISA-N 2 1 214.357 1.031 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000894863430 583535988 /nfs/dbraw/zinc/53/59/88/583535988.db2.gz CINWIFNGMLOMPP-MNOVXSKESA-N 2 1 230.302 1.575 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000894863430 583535989 /nfs/dbraw/zinc/53/59/89/583535989.db2.gz CINWIFNGMLOMPP-MNOVXSKESA-N 2 1 230.302 1.575 20 30 BDEDMP C#CCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902415167 584601574 /nfs/dbraw/zinc/60/15/74/584601574.db2.gz CCUKGKXRZGVVBY-LBPRGKRZSA-N 2 1 244.338 1.841 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903806628 584802736 /nfs/dbraw/zinc/80/27/36/584802736.db2.gz YSFZBZXXEQOCMD-IHRRRGAJSA-N 2 1 238.375 1.517 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903806628 584802737 /nfs/dbraw/zinc/80/27/37/584802737.db2.gz YSFZBZXXEQOCMD-IHRRRGAJSA-N 2 1 238.375 1.517 20 30 BDEDMP C#CCC[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000760842290 585399394 /nfs/dbraw/zinc/39/93/94/585399394.db2.gz FWUXSOQQQQYPHT-CYBMUJFWSA-N 2 1 208.349 1.673 20 30 BDEDMP C#CCC[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000760842290 585399395 /nfs/dbraw/zinc/39/93/95/585399395.db2.gz FWUXSOQQQQYPHT-CYBMUJFWSA-N 2 1 208.349 1.673 20 30 BDEDMP C#CCC[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000760842290 585399396 /nfs/dbraw/zinc/39/93/96/585399396.db2.gz FWUXSOQQQQYPHT-CYBMUJFWSA-N 2 1 208.349 1.673 20 30 BDEDMP C#CCCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000766902353 585510150 /nfs/dbraw/zinc/51/01/50/585510150.db2.gz GRELTRFRJBGYBC-OLZOCXBDSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000766902353 585510151 /nfs/dbraw/zinc/51/01/51/585510151.db2.gz GRELTRFRJBGYBC-OLZOCXBDSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000766902353 585510152 /nfs/dbraw/zinc/51/01/52/585510152.db2.gz GRELTRFRJBGYBC-OLZOCXBDSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CCCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000766902353 585510153 /nfs/dbraw/zinc/51/01/53/585510153.db2.gz GRELTRFRJBGYBC-OLZOCXBDSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CCCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000766905436 585511066 /nfs/dbraw/zinc/51/10/66/585511066.db2.gz LYRXCOCDLLZPGO-ZDUSSCGKSA-N 2 1 208.349 1.673 20 30 BDEDMP C#CCCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000766905436 585511067 /nfs/dbraw/zinc/51/10/67/585511067.db2.gz LYRXCOCDLLZPGO-ZDUSSCGKSA-N 2 1 208.349 1.673 20 30 BDEDMP C#CCCC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000766905436 585511068 /nfs/dbraw/zinc/51/10/68/585511068.db2.gz LYRXCOCDLLZPGO-ZDUSSCGKSA-N 2 1 208.349 1.673 20 30 BDEDMP C[C@H](C#N)OCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000801924480 586277424 /nfs/dbraw/zinc/27/74/24/586277424.db2.gz PQJXWKAQIIDWGJ-XQQFMLRXSA-N 2 1 239.363 1.330 20 30 BDEDMP C[C@H](C#N)OCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000801924480 586277426 /nfs/dbraw/zinc/27/74/26/586277426.db2.gz PQJXWKAQIIDWGJ-XQQFMLRXSA-N 2 1 239.363 1.330 20 30 BDEDMP C[C@H](C#N)OCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000801924480 586277428 /nfs/dbraw/zinc/27/74/28/586277428.db2.gz PQJXWKAQIIDWGJ-XQQFMLRXSA-N 2 1 239.363 1.330 20 30 BDEDMP C[C@H](C#N)OCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000801924480 586277430 /nfs/dbraw/zinc/27/74/30/586277430.db2.gz PQJXWKAQIIDWGJ-XQQFMLRXSA-N 2 1 239.363 1.330 20 30 BDEDMP C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000817970409 586858304 /nfs/dbraw/zinc/85/83/04/586858304.db2.gz UYKUHQXHIQIPOR-NWDGAFQWSA-N 2 1 232.327 1.696 20 30 BDEDMP C#C[C@H]1CCC[N@H+](CCn2ccnc2C)C1 ZINC000847021774 588302974 /nfs/dbraw/zinc/30/29/74/588302974.db2.gz PAOZBWMGKSVWJC-ZDUSSCGKSA-N 2 1 217.316 1.537 20 30 BDEDMP C#CCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848528282 588393157 /nfs/dbraw/zinc/39/31/57/588393157.db2.gz DOBZPWDRBZWWSY-CQSZACIVSA-N 2 1 236.359 1.243 20 30 BDEDMP CN(C)C(=[NH+]CCCC[N@@H+](C)C1CC1)N(C)C ZINC000849039581 588447378 /nfs/dbraw/zinc/44/73/78/588447378.db2.gz GWUUNUPQHIFBMW-UHFFFAOYSA-N 2 1 240.395 1.340 20 30 BDEDMP C=CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C(C)C ZINC000851731279 588619258 /nfs/dbraw/zinc/61/92/58/588619258.db2.gz NJQVIPVDSFBZTF-CYBMUJFWSA-N 2 1 228.380 1.584 20 30 BDEDMP C=CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C(C)C ZINC000851731279 588619259 /nfs/dbraw/zinc/61/92/59/588619259.db2.gz NJQVIPVDSFBZTF-CYBMUJFWSA-N 2 1 228.380 1.584 20 30 BDEDMP C=CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C(C)C ZINC000851731279 588619260 /nfs/dbraw/zinc/61/92/60/588619260.db2.gz NJQVIPVDSFBZTF-CYBMUJFWSA-N 2 1 228.380 1.584 20 30 BDEDMP C=CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C(C)C ZINC000851731279 588619261 /nfs/dbraw/zinc/61/92/61/588619261.db2.gz NJQVIPVDSFBZTF-CYBMUJFWSA-N 2 1 228.380 1.584 20 30 BDEDMP C#CCOCC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000851796395 588629906 /nfs/dbraw/zinc/62/99/06/588629906.db2.gz DBVRWOIKFOZYGN-KBPBESRZSA-N 2 1 238.375 1.441 20 30 BDEDMP C#CCOCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000851796395 588629907 /nfs/dbraw/zinc/62/99/07/588629907.db2.gz DBVRWOIKFOZYGN-KBPBESRZSA-N 2 1 238.375 1.441 20 30 BDEDMP C#CCOCC[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000851796395 588629908 /nfs/dbraw/zinc/62/99/08/588629908.db2.gz DBVRWOIKFOZYGN-KBPBESRZSA-N 2 1 238.375 1.441 20 30 BDEDMP C#CC[C@@H](CCOC)[NH2+]C1CC[NH+](CC)CC1 ZINC000862547481 589220216 /nfs/dbraw/zinc/22/02/16/589220216.db2.gz HGLSVCOSWULVJY-ZDUSSCGKSA-N 2 1 238.375 1.489 20 30 BDEDMP N#Cc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)o1 ZINC000863642036 589306260 /nfs/dbraw/zinc/30/62/60/589306260.db2.gz PDNHTRMMEOJCJW-UHFFFAOYSA-N 2 1 245.326 1.727 20 30 BDEDMP C#CC[N@H+](C)CCCNC(=[NH2+])NC(CC)CC ZINC000864467032 589371825 /nfs/dbraw/zinc/37/18/25/589371825.db2.gz PBQBVCMOBIIVAB-UHFFFAOYSA-N 2 1 238.379 1.244 20 30 BDEDMP C[N@@H+](CCC[NH3+])CCc1cccc(C#N)c1 ZINC000866698150 589513057 /nfs/dbraw/zinc/51/30/57/589513057.db2.gz OBYRAOWNKUQTHX-UHFFFAOYSA-N 2 1 217.316 1.381 20 30 BDEDMP C#CC[C@H](CCOC)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000877661081 590386695 /nfs/dbraw/zinc/38/66/95/590386695.db2.gz XAXSGMDDMSBVMN-BFHYXJOUSA-N 2 1 238.375 1.487 20 30 BDEDMP C#CC[C@H](CCOC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000877661081 590386698 /nfs/dbraw/zinc/38/66/98/590386698.db2.gz XAXSGMDDMSBVMN-BFHYXJOUSA-N 2 1 238.375 1.487 20 30 BDEDMP C=CC[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879121695 590699517 /nfs/dbraw/zinc/69/95/17/590699517.db2.gz FWDNFFZFRYQMLW-UHFFFAOYSA-N 2 1 226.364 1.463 20 30 BDEDMP CC#CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883156497 591555323 /nfs/dbraw/zinc/55/53/23/591555323.db2.gz PUYDWMXYEABMPH-OLZOCXBDSA-N 2 1 238.375 1.223 20 30 BDEDMP C=C(C)C[C@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000883389091 591640441 /nfs/dbraw/zinc/64/04/41/591640441.db2.gz KNRZKUMRXPBZBZ-CYBMUJFWSA-N 2 1 226.364 1.387 20 30 BDEDMP C=C(C)C[C@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000883393099 591644886 /nfs/dbraw/zinc/64/48/86/591644886.db2.gz VWCCGRWGZMETEB-QWHCGFSZSA-N 2 1 240.391 1.776 20 30 BDEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000198930419 634446690 /nfs/dbraw/zinc/44/66/90/634446690.db2.gz BHLSGESONPHCJI-LBPRGKRZSA-N 2 1 246.358 1.755 20 30 BDEDMP CC(C)(CC#N)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925693956 634331186 /nfs/dbraw/zinc/33/11/86/634331186.db2.gz NRYHUYVVFBJYQP-NWBUJAPZSA-N 2 1 233.359 1.512 20 30 BDEDMP CCC[NH+]=C(NC[C@H](C)[NH+](C)C)NC(C)(C)C ZINC000912509947 640101406 /nfs/dbraw/zinc/10/14/06/640101406.db2.gz VQVMEJJMWQHEFB-NSHDSACASA-N 2 1 242.411 1.680 20 30 BDEDMP C=C(C)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931302711 640141985 /nfs/dbraw/zinc/14/19/85/640141985.db2.gz BNMAULZXANOQKO-STQMWFEESA-N 2 1 208.349 1.836 20 30 BDEDMP C#CC[N@@H+](CCCn1cc[nH+]c1C)C(C)C ZINC000932388398 640517933 /nfs/dbraw/zinc/51/79/33/640517933.db2.gz ISUNAYZMNHNZHP-UHFFFAOYSA-N 2 1 219.332 1.925 20 30 BDEDMP C#CC[N@H+](CCCn1cc[nH+]c1C)C(C)C ZINC000932388398 640517950 /nfs/dbraw/zinc/51/79/50/640517950.db2.gz ISUNAYZMNHNZHP-UHFFFAOYSA-N 2 1 219.332 1.925 20 30 BDEDMP CN(C)C(=[NH2+])NCCC[N@@H+](C)C1CCCCC1 ZINC000170913391 640938254 /nfs/dbraw/zinc/93/82/54/640938254.db2.gz MRHPBANNOJCJMM-UHFFFAOYSA-N 2 1 240.395 1.517 20 30 BDEDMP C[NH+](C)CCOc1ccc(C[NH2+]CCC#N)cc1 ZINC000916831943 641979297 /nfs/dbraw/zinc/97/92/97/641979297.db2.gz GZNNUCGHCPYMSE-UHFFFAOYSA-N 2 1 247.342 1.630 20 30 BDEDMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])N(C)C1CC1 ZINC000305816620 642702044 /nfs/dbraw/zinc/70/20/44/642702044.db2.gz MNVVSHVPRLOWCX-LLVKDONJSA-N 2 1 238.379 1.270 20 30 BDEDMP C=C(Cl)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000307181921 643416990 /nfs/dbraw/zinc/41/69/90/643416990.db2.gz NMEQHRUVUJSKOZ-PHIMTYICSA-N 2 1 214.740 1.670 20 30 BDEDMP C=C(Cl)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086723995 643637933 /nfs/dbraw/zinc/63/79/33/643637933.db2.gz LQGBIGWCGOACIO-UHFFFAOYSA-N 2 1 232.755 1.569 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+]Cc1csc(C#N)c1 ZINC000921631862 643634035 /nfs/dbraw/zinc/63/40/35/643634035.db2.gz IRUYMNKJEOGKLV-UHFFFAOYSA-N 2 1 246.339 1.915 20 30 BDEDMP Cn1c[nH+]cc1CC[NH2+]Cc1csc(C#N)c1 ZINC000922273910 643941584 /nfs/dbraw/zinc/94/15/84/643941584.db2.gz OGVNMIGYNJUEQH-UHFFFAOYSA-N 2 1 246.339 1.686 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000923280585 644315901 /nfs/dbraw/zinc/31/59/01/644315901.db2.gz BURLHOFDNDEWOL-OLZOCXBDSA-N 2 1 226.364 1.245 20 30 BDEDMP CCCC(N)=[NH+]OCC[NH+]1CCCCC1 ZINC000194391672 644316916 /nfs/dbraw/zinc/31/69/16/644316916.db2.gz XCXZXZIPKCUIJR-UHFFFAOYSA-N 2 1 213.325 1.561 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000923286879 644319953 /nfs/dbraw/zinc/31/99/53/644319953.db2.gz AXPZPYYXRWIJFF-AVGNSLFASA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000923286879 644319957 /nfs/dbraw/zinc/31/99/57/644319957.db2.gz AXPZPYYXRWIJFF-AVGNSLFASA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000923331378 644351892 /nfs/dbraw/zinc/35/18/92/644351892.db2.gz GGGGXWKDXTVQFF-FQUUOJAGSA-N 2 1 238.375 1.373 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923376544 644391968 /nfs/dbraw/zinc/39/19/68/644391968.db2.gz YRFCJQCAPANVOE-AGIUHOORSA-N 2 1 226.364 1.230 20 30 BDEDMP CCC[N@@H+](CC)CCNC(=[NH2+])NC(C)C ZINC000083052937 644398537 /nfs/dbraw/zinc/39/85/37/644398537.db2.gz MDFHYMMRJDEXKH-UHFFFAOYSA-N 2 1 214.357 1.031 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000923391383 644395779 /nfs/dbraw/zinc/39/57/79/644395779.db2.gz DXYBERNFLHZVRR-UTUOFQBUSA-N 2 1 212.337 1.125 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000923387947 644397850 /nfs/dbraw/zinc/39/78/50/644397850.db2.gz PDTOSEXNPPTRHL-MELADBBJSA-N 2 1 240.391 1.763 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000923409288 644411398 /nfs/dbraw/zinc/41/13/98/644411398.db2.gz NDCYRTIOXUTROP-MCIONIFRSA-N 2 1 238.375 1.245 20 30 BDEDMP C#C[C@H](C)[NH+](C)C/C=C/C[N@H+](C)[C@@H](C)C#C ZINC000769963566 644683005 /nfs/dbraw/zinc/68/30/05/644683005.db2.gz WARNIEGWYSMJLH-KYXFNPKGSA-N 2 1 218.344 1.450 20 30 BDEDMP CNC(NC[C@H](C)[N@H+]1CCCC[C@@H]1C)=[NH+]C ZINC000303253116 644812061 /nfs/dbraw/zinc/81/20/61/644812061.db2.gz CGRGGDWJUCPCQN-QWRGUYRKSA-N 2 1 226.368 1.044 20 30 BDEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])N[C@@H](C)CC)C1 ZINC000303267152 644812904 /nfs/dbraw/zinc/81/29/04/644812904.db2.gz WVRKBOAISNQEGX-RYUDHWBXSA-N 2 1 240.395 1.421 20 30 BDEDMP CNC(NCCCC[N@H+]1CCCC[C@H]1C)=[NH+]C ZINC000303267730 644813011 /nfs/dbraw/zinc/81/30/11/644813011.db2.gz XMNBIOPSFSWQIF-GFCCVEGCSA-N 2 1 240.395 1.436 20 30 BDEDMP CNC(=[NH2+])NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000303257957 644813195 /nfs/dbraw/zinc/81/31/95/644813195.db2.gz KCGSUQGDJWWTRG-SNVBAGLBSA-N 2 1 226.368 1.031 20 30 BDEDMP CNC(=[NH2+])NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000303257956 644814205 /nfs/dbraw/zinc/81/42/05/644814205.db2.gz KCGSUQGDJWWTRG-JTQLQIEISA-N 2 1 226.368 1.031 20 30 BDEDMP CC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000303257863 644814231 /nfs/dbraw/zinc/81/42/31/644814231.db2.gz JWMASVMAZBEZOL-WDEREUQCSA-N 2 1 238.379 1.174 20 30 BDEDMP CC(C)NC(=[NH2+])NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000303876314 644852991 /nfs/dbraw/zinc/85/29/91/644852991.db2.gz DWKCUHHTYWPBCE-NEPJUHHUSA-N 2 1 240.395 1.420 20 30 BDEDMP CCCNC(=[NH2+])NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000303898524 644856003 /nfs/dbraw/zinc/85/60/03/644856003.db2.gz RADFIXILBCQHSO-NEPJUHHUSA-N 2 1 240.395 1.421 20 30 BDEDMP CCCC[N@@H+](C)CCNC(=[NH2+])NCC(C)C ZINC000304738744 644927365 /nfs/dbraw/zinc/92/73/65/644927365.db2.gz AXQKIVFUBYVVHL-UHFFFAOYSA-N 2 1 228.384 1.279 20 30 BDEDMP C#CC[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000847005262 645413654 /nfs/dbraw/zinc/41/36/54/645413654.db2.gz RDTQZZZAFDINMD-KGLIPLIRSA-N 2 1 238.375 1.034 20 30 BDEDMP C#CC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000847005262 645413661 /nfs/dbraw/zinc/41/36/61/645413661.db2.gz RDTQZZZAFDINMD-KGLIPLIRSA-N 2 1 238.375 1.034 20 30 BDEDMP C#CC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000847005262 645413666 /nfs/dbraw/zinc/41/36/66/645413666.db2.gz RDTQZZZAFDINMD-KGLIPLIRSA-N 2 1 238.375 1.034 20 30 BDEDMP C=CCSCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925592563 646349091 /nfs/dbraw/zinc/34/90/91/646349091.db2.gz XGEKXLQRYRMMBV-NSHDSACASA-N 2 1 226.389 1.780 20 30 BDEDMP N#CCC1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925654214 646390995 /nfs/dbraw/zinc/39/09/95/646390995.db2.gz DYUWNRXHJZHYPQ-NWBUJAPZSA-N 2 1 231.343 1.266 20 30 BDEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925656881 646392377 /nfs/dbraw/zinc/39/23/77/646392377.db2.gz QLZQJKICWHCYHW-SYQHCUMBSA-N 2 1 238.375 1.698 20 30 BDEDMP C=C(C)CNC(=[NH2+])NCC[N@H+](CC)C(C)C ZINC000104191594 711575180 /nfs/dbraw/zinc/57/51/80/711575180.db2.gz UZKPZVRTEBIYIP-UHFFFAOYSA-N 2 1 226.368 1.197 20 30 BDEDMP C=CC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579928 711770545 /nfs/dbraw/zinc/77/05/45/711770545.db2.gz QKFCMAPLHAPNLY-AVGNSLFASA-N 2 1 208.349 1.977 20 30 BDEDMP C=CC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579928 711770548 /nfs/dbraw/zinc/77/05/48/711770548.db2.gz QKFCMAPLHAPNLY-AVGNSLFASA-N 2 1 208.349 1.977 20 30 BDEDMP C=CC[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579928 711770550 /nfs/dbraw/zinc/77/05/50/711770550.db2.gz QKFCMAPLHAPNLY-AVGNSLFASA-N 2 1 208.349 1.977 20 30 BDEDMP C=CC[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579928 711770551 /nfs/dbraw/zinc/77/05/51/711770551.db2.gz QKFCMAPLHAPNLY-AVGNSLFASA-N 2 1 208.349 1.977 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(F)c1 ZINC000383035248 710841526 /nfs/dbraw/zinc/84/15/26/710841526.db2.gz FLFMCEMDYUSJKP-UHFFFAOYSA-N 2 1 234.318 1.870 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(F)c1 ZINC000383035248 710841528 /nfs/dbraw/zinc/84/15/28/710841528.db2.gz FLFMCEMDYUSJKP-UHFFFAOYSA-N 2 1 234.318 1.870 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CC[NH3+] ZINC000723902789 711544663 /nfs/dbraw/zinc/54/46/63/711544663.db2.gz ZSNAYYUMMJXBRJ-IUODEOHRSA-N 2 1 243.354 1.975 20 30 BDEDMP C=CCOCCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000700850080 712008502 /nfs/dbraw/zinc/00/85/02/712008502.db2.gz ZNCWZGZGHHIXQS-NEPJUHHUSA-N 2 1 212.337 1.309 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000705951543 712138483 /nfs/dbraw/zinc/13/84/83/712138483.db2.gz DJQAYNUXPCGKSH-KGLIPLIRSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000705951543 712138484 /nfs/dbraw/zinc/13/84/84/712138484.db2.gz DJQAYNUXPCGKSH-KGLIPLIRSA-N 2 1 238.375 1.489 20 30 BDEDMP C[C@@H](CC(C)(C)C#N)[NH2+]CCc1c[nH+]cn1C ZINC000695894587 960570309 /nfs/dbraw/zinc/57/03/09/960570309.db2.gz YZMCFNYZFOWGFQ-NSHDSACASA-N 2 1 234.347 1.881 20 30 BDEDMP CCO[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)C[NH+](C)C ZINC000926959485 964531409 /nfs/dbraw/zinc/53/14/09/964531409.db2.gz JDIVBZKPLHACAX-YNEHKIRRSA-N 2 1 239.363 1.235 20 30 BDEDMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC001208110810 969009305 /nfs/dbraw/zinc/00/93/05/969009305.db2.gz GTIXVHOKYHAABQ-AWEZNQCLSA-N 2 1 235.375 1.954 20 30 BDEDMP C=C(C)C[N@@H+](CC)C[C@@H](O)C[NH+](CC)CC ZINC001253188023 969106132 /nfs/dbraw/zinc/10/61/32/969106132.db2.gz NFONXIIUWBJGOF-ZDUSSCGKSA-N 2 1 228.380 1.587 20 30 BDEDMP C=C(C)C[N@H+](CC)C[C@@H](O)C[NH+](CC)CC ZINC001253188023 969106135 /nfs/dbraw/zinc/10/61/35/969106135.db2.gz NFONXIIUWBJGOF-ZDUSSCGKSA-N 2 1 228.380 1.587 20 30 BDEDMP C#CC1([NH2+][C@H](C)CC[NH+](CC)CC)CC1 ZINC001255948251 970584415 /nfs/dbraw/zinc/58/44/15/970584415.db2.gz IGDIDWPUQIZAPI-GFCCVEGCSA-N 2 1 208.349 1.862 20 30 BDEDMP C=C1C[C@@H]2CC([N@H+](CC[NH3+])CCO)C[C@H](C1)C2 ZINC001257886632 971520384 /nfs/dbraw/zinc/52/03/84/971520384.db2.gz LEHJTDHACHHSJX-PBWFPOADSA-N 2 1 238.375 1.374 20 30 BDEDMP C=C1C[C@@H]2CC([N@@H+](CC[NH3+])CCO)C[C@H](C1)C2 ZINC001257886632 971520393 /nfs/dbraw/zinc/52/03/93/971520393.db2.gz LEHJTDHACHHSJX-PBWFPOADSA-N 2 1 238.375 1.374 20 30 BDEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCS)C2 ZINC001172101057 974332011 /nfs/dbraw/zinc/33/20/11/974332011.db2.gz WCUXPGNICRTEGT-RTCCRHLQSA-N 2 1 214.378 1.521 20 30 BDEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246126900 972188679 /nfs/dbraw/zinc/18/86/79/972188679.db2.gz KRHQPTKKMILUAC-DOMZBBRYSA-N 2 1 243.354 1.831 20 30 BDEDMP C#C[C@](C)(CC)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000692596175 960334351 /nfs/dbraw/zinc/33/43/51/960334351.db2.gz VSUMNCXXYBLROW-QWHCGFSZSA-N 2 1 208.349 1.862 20 30 BDEDMP N#Cc1ccnc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206631832 962123345 /nfs/dbraw/zinc/12/33/45/962123345.db2.gz AOTJBJCLGOBHQX-CYBMUJFWSA-N 2 1 244.342 1.514 20 30 BDEDMP N#Cc1ccnc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206631832 962123361 /nfs/dbraw/zinc/12/33/61/962123361.db2.gz AOTJBJCLGOBHQX-CYBMUJFWSA-N 2 1 244.342 1.514 20 30 BDEDMP N#Cc1ccc(CC[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235976912 966189898 /nfs/dbraw/zinc/18/98/98/966189898.db2.gz DJSZOTXJXRZISD-GJZGRUSLSA-N 2 1 241.338 1.524 20 30 BDEDMP N#Cc1ccc(CC[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235976912 966189908 /nfs/dbraw/zinc/18/99/08/966189908.db2.gz DJSZOTXJXRZISD-GJZGRUSLSA-N 2 1 241.338 1.524 20 30 BDEDMP N#Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)nc1 ZINC001205109294 967353256 /nfs/dbraw/zinc/35/32/56/967353256.db2.gz DORRWMQOTXXRNV-LBPRGKRZSA-N 2 1 230.315 1.266 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)nc1 ZINC001205109294 967353266 /nfs/dbraw/zinc/35/32/66/967353266.db2.gz DORRWMQOTXXRNV-LBPRGKRZSA-N 2 1 230.315 1.266 20 30 BDEDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2[nH]ccc2C#N)CC1 ZINC001206318476 968224943 /nfs/dbraw/zinc/22/49/43/968224943.db2.gz QASYPOQVFWROGS-CQSZACIVSA-N 2 1 246.358 1.837 20 30 BDEDMP C#CCCC[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206540183 968368921 /nfs/dbraw/zinc/36/89/21/968368921.db2.gz BBHAJSLHFPHXFK-CYBMUJFWSA-N 2 1 208.349 1.851 20 30 BDEDMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H](C#N)C2)CC1 ZINC001208113289 969010277 /nfs/dbraw/zinc/01/02/77/969010277.db2.gz HARFCGFJAHSXBE-ZDUSSCGKSA-N 2 1 235.375 1.954 20 30 BDEDMP C=C[C@H](O)CN1CCC([N@@H+](C)C2CC2)CC1 ZINC001253583977 969261226 /nfs/dbraw/zinc/26/12/26/969261226.db2.gz CGZXMPVKVFMGSB-ZDUSSCGKSA-N 2 1 224.348 1.092 20 30 BDEDMP C=C[C@H](O)C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001253583977 969261233 /nfs/dbraw/zinc/26/12/33/969261233.db2.gz CGZXMPVKVFMGSB-ZDUSSCGKSA-N 2 1 224.348 1.092 20 30 BDEDMP C=C[C@H](O)C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001253583977 969261239 /nfs/dbraw/zinc/26/12/39/969261239.db2.gz CGZXMPVKVFMGSB-ZDUSSCGKSA-N 2 1 224.348 1.092 20 30 BDEDMP C#CCCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001209269394 969418287 /nfs/dbraw/zinc/41/82/87/969418287.db2.gz IQPTYAWCEJPXJO-UHFFFAOYSA-N 2 1 203.289 1.155 20 30 BDEDMP C#CCCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001209269394 969418292 /nfs/dbraw/zinc/41/82/92/969418292.db2.gz IQPTYAWCEJPXJO-UHFFFAOYSA-N 2 1 203.289 1.155 20 30 BDEDMP C=CCN1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169140400 969446374 /nfs/dbraw/zinc/44/63/74/969446374.db2.gz JTAYISHOCSELCI-FICVDOATSA-N 2 1 249.402 1.415 20 30 BDEDMP C=CC[NH+]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169140400 969446386 /nfs/dbraw/zinc/44/63/86/969446386.db2.gz JTAYISHOCSELCI-FICVDOATSA-N 2 1 249.402 1.415 20 30 BDEDMP C=CC[NH+]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169140400 969446400 /nfs/dbraw/zinc/44/64/00/969446400.db2.gz JTAYISHOCSELCI-FICVDOATSA-N 2 1 249.402 1.415 20 30 BDEDMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CC[C@H](C#N)C1 ZINC001254667258 969775022 /nfs/dbraw/zinc/77/50/22/969775022.db2.gz BREJDGJLDMMSTI-KBPBESRZSA-N 2 1 235.375 1.952 20 30 BDEDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC001254673729 969779671 /nfs/dbraw/zinc/77/96/71/969779671.db2.gz NWBARHVXAJJCSI-AAVRWANBSA-N 2 1 233.359 1.562 20 30 BDEDMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC001254676752 969784006 /nfs/dbraw/zinc/78/40/06/969784006.db2.gz NQTBCRZUWPAPGK-BYNSBNAKSA-N 2 1 247.386 1.952 20 30 BDEDMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC001254676752 969784010 /nfs/dbraw/zinc/78/40/10/969784010.db2.gz NQTBCRZUWPAPGK-BYNSBNAKSA-N 2 1 247.386 1.952 20 30 BDEDMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC001254676752 969784011 /nfs/dbraw/zinc/78/40/11/969784011.db2.gz NQTBCRZUWPAPGK-BYNSBNAKSA-N 2 1 247.386 1.952 20 30 BDEDMP C#CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001256210896 970721513 /nfs/dbraw/zinc/72/15/13/970721513.db2.gz NSAKZOIWOBLMPM-UHFFFAOYSA-N 2 1 206.333 1.426 20 30 BDEDMP CC1(C#N)CCC([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246854974 973173043 /nfs/dbraw/zinc/17/30/43/973173043.db2.gz RRAFCPXBAWJHTP-RYSNWHEDSA-N 2 1 233.359 1.882 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)C1 ZINC001246863919 973193533 /nfs/dbraw/zinc/19/35/33/973193533.db2.gz SSUUKAWBIHWSSR-WYUUTHIRSA-N 2 1 205.305 1.102 20 30 BDEDMP C#C[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112079 974373099 /nfs/dbraw/zinc/37/30/99/974373099.db2.gz STXGJKCCSNUGDK-FVCCEPFGSA-N 2 1 206.333 1.613 20 30 BDEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC(C#N)C1)C2 ZINC001172111607 974375720 /nfs/dbraw/zinc/37/57/20/974375720.db2.gz VTSWQBYWOWPGGR-MOIJGLSHSA-N 2 1 233.359 1.893 20 30 BDEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCS)C2 ZINC001172117379 974381136 /nfs/dbraw/zinc/38/11/36/974381136.db2.gz LDIRSRUNQPPDPE-CNDDSTCGSA-N 2 1 228.405 1.911 20 30 BDEDMP C[C@H](CCCC#N)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001172483312 974785839 /nfs/dbraw/zinc/78/58/39/974785839.db2.gz OXLCAQCHVZMHBE-GHMZBOCLSA-N 2 1 236.319 1.000 20 30 BDEDMP C[C@H](CCCC#N)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001172499607 974850051 /nfs/dbraw/zinc/85/00/51/974850051.db2.gz YRSUFHFEAXZOMF-GFCCVEGCSA-N 2 1 232.331 1.824 20 30 BDEDMP C[C@H](CCCC#N)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001172499607 974850055 /nfs/dbraw/zinc/85/00/55/974850055.db2.gz YRSUFHFEAXZOMF-GFCCVEGCSA-N 2 1 232.331 1.824 20 30 BDEDMP C=CCOC1CCC([NH2+]C(C)(C)C[NH3+])CC1 ZINC001173311537 975221918 /nfs/dbraw/zinc/22/19/18/975221918.db2.gz LTXWATGIKKAYHF-UHFFFAOYSA-N 2 1 226.364 1.827 20 30 BDEDMP CC#CCNC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001335382343 977016904 /nfs/dbraw/zinc/01/69/04/977016904.db2.gz PHTNNJXIGPILMC-OAHLLOKOSA-N 2 1 246.354 1.092 20 30 BDEDMP CC#CC[NH2+]C[C@@H](O)CN(C)Cc1ccccc1 ZINC001335382343 977016925 /nfs/dbraw/zinc/01/69/25/977016925.db2.gz PHTNNJXIGPILMC-OAHLLOKOSA-N 2 1 246.354 1.092 20 30 BDEDMP C[C@@H]([NH2+]Cc1cc(C#N)ccn1)[C@@H]1CCC[NH2+]C1 ZINC001576243320 984158752 /nfs/dbraw/zinc/15/87/52/984158752.db2.gz AAWKCLCOGMSNPA-DGCLKSJQSA-N 2 1 244.342 1.431 20 30 BDEDMP C[C@H](C#N)OCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000685997263 985029774 /nfs/dbraw/zinc/02/97/74/985029774.db2.gz CGTVRNQKAHAJRE-CHWSQXEVSA-N 2 1 239.363 1.189 20 30 BDEDMP C[C@H](C#N)OCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000685997263 985029782 /nfs/dbraw/zinc/02/97/82/985029782.db2.gz CGTVRNQKAHAJRE-CHWSQXEVSA-N 2 1 239.363 1.189 20 30 BDEDMP C[C@H](C#N)OCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000685997263 985029791 /nfs/dbraw/zinc/02/97/91/985029791.db2.gz CGTVRNQKAHAJRE-CHWSQXEVSA-N 2 1 239.363 1.189 20 30 BDEDMP C=CC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@H](C)COC ZINC000691844668 985699970 /nfs/dbraw/zinc/69/99/70/985699970.db2.gz LXFANCHWSFHUJT-UPJWGTAASA-N 2 1 226.364 1.365 20 30 BDEDMP N#C[C@H]1CC[C@H]([N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001580040617 986449755 /nfs/dbraw/zinc/44/97/55/986449755.db2.gz LTLBNNIUYNLYFA-RNJOBUHISA-N 2 1 219.332 1.220 20 30 BDEDMP C=CCC[C@H](O)C[NH2+]C[C@H]1CC[C@H](C)C[NH2+]1 ZINC001245987756 987272468 /nfs/dbraw/zinc/27/24/68/987272468.db2.gz BWZSWNBVMSXJCO-XQQFMLRXSA-N 2 1 226.364 1.291 20 30 BDEDMP C=C[C@@](C)(O)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246018321 987303345 /nfs/dbraw/zinc/30/33/45/987303345.db2.gz AUSIFEIIDPXLSN-QWHCGFSZSA-N 2 1 226.364 1.374 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246019467 987306813 /nfs/dbraw/zinc/30/68/13/987306813.db2.gz FKOUWPFWEXXWRQ-ZIAGYGMSSA-N 2 1 240.391 1.764 20 30 BDEDMP C=C[C@](C)(O)C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246025293 987318002 /nfs/dbraw/zinc/31/80/02/987318002.db2.gz VZIWGMFPBSCQPW-RYUDHWBXSA-N 2 1 230.327 1.076 20 30 BDEDMP C=C[C@](C)(O)C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246029405 987333641 /nfs/dbraw/zinc/33/36/41/987333641.db2.gz FIAVFXPDCPQKIB-QWHCGFSZSA-N 2 1 224.348 1.141 20 30 BDEDMP C=C[C@](C)(O)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246029405 987333646 /nfs/dbraw/zinc/33/36/46/987333646.db2.gz FIAVFXPDCPQKIB-QWHCGFSZSA-N 2 1 224.348 1.141 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246034429 987334529 /nfs/dbraw/zinc/33/45/29/987334529.db2.gz NMIDSWHORKIUFK-STQMWFEESA-N 2 1 226.364 1.374 20 30 BDEDMP C[C@H]1C[C@H]([NH2+]Cc2cc(C#N)cs2)CC[NH2+]1 ZINC001246502629 987856640 /nfs/dbraw/zinc/85/66/40/987856640.db2.gz ILMLCEVSEIGOGB-GXSJLCMTSA-N 2 1 235.356 1.850 20 30 BDEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246529867 987887234 /nfs/dbraw/zinc/88/72/34/987887234.db2.gz MJQPEZYGAYFOBX-IUODEOHRSA-N 2 1 243.354 1.912 20 30 BDEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246529867 987887236 /nfs/dbraw/zinc/88/72/36/987887236.db2.gz MJQPEZYGAYFOBX-IUODEOHRSA-N 2 1 243.354 1.912 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H](C[NH3+])C2)C1 ZINC001246590890 988165340 /nfs/dbraw/zinc/16/53/40/988165340.db2.gz IKDMRHXWECTMKK-JHJVBQTASA-N 2 1 221.348 1.739 20 30 BDEDMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](CC#N)C2)CC[NH2+]1 ZINC001246796686 988469087 /nfs/dbraw/zinc/46/90/87/988469087.db2.gz KCVDKUJFUMGBAW-AGIUHOORSA-N 2 1 221.348 1.753 20 30 BDEDMP C[C@H](CCCC#N)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246855152 988583090 /nfs/dbraw/zinc/58/30/90/988583090.db2.gz SXVROLCPRLUIPN-UTUOFQBUSA-N 2 1 207.321 1.492 20 30 BDEDMP C=C(C)C[N@H+](C)Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001574836474 992921556 /nfs/dbraw/zinc/92/15/56/992921556.db2.gz ZFFFZXOLUGRHLF-UHFFFAOYSA-N 2 1 249.358 1.697 20 30 BDEDMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001576382254 993292146 /nfs/dbraw/zinc/29/21/46/993292146.db2.gz JHMODHZMMWJNRM-ZIAGYGMSSA-N 2 1 246.329 1.893 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCCOC ZINC000378800607 346837712 /nfs/dbraw/zinc/83/77/12/346837712.db2.gz TZGWXVARWVLARK-CYBMUJFWSA-N 2 1 226.364 1.346 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCCOC ZINC000378800607 346837715 /nfs/dbraw/zinc/83/77/15/346837715.db2.gz TZGWXVARWVLARK-CYBMUJFWSA-N 2 1 226.364 1.346 20 30 BDEDMP C[C@H](CCC#N)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000602670615 349665916 /nfs/dbraw/zinc/66/59/16/349665916.db2.gz AFESIRMOVIFWDN-KGLIPLIRSA-N 2 1 235.375 1.954 20 30 BDEDMP C[C@H](CCC#N)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000602670615 349665917 /nfs/dbraw/zinc/66/59/17/349665917.db2.gz AFESIRMOVIFWDN-KGLIPLIRSA-N 2 1 235.375 1.954 20 30 BDEDMP C[C@H](CCC#N)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000602670615 349665918 /nfs/dbraw/zinc/66/59/18/349665918.db2.gz AFESIRMOVIFWDN-KGLIPLIRSA-N 2 1 235.375 1.954 20 30 BDEDMP C[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C[C@@H]1C[NH3+] ZINC000600769807 344370533 /nfs/dbraw/zinc/37/05/33/344370533.db2.gz RNBSFNJEVVRCHG-MNOVXSKESA-N 2 1 233.315 1.568 20 30 BDEDMP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)C[C@@H]1C[NH3+] ZINC000600769807 344370534 /nfs/dbraw/zinc/37/05/34/344370534.db2.gz RNBSFNJEVVRCHG-MNOVXSKESA-N 2 1 233.315 1.568 20 30 BDEDMP CC#CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000156475894 345163118 /nfs/dbraw/zinc/16/31/18/345163118.db2.gz MMRXMLZAHUQEPP-KGLIPLIRSA-N 2 1 220.360 1.816 20 30 BDEDMP CC#CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000156475894 345163120 /nfs/dbraw/zinc/16/31/20/345163120.db2.gz MMRXMLZAHUQEPP-KGLIPLIRSA-N 2 1 220.360 1.816 20 30 BDEDMP CC#CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000156475894 345163122 /nfs/dbraw/zinc/16/31/22/345163122.db2.gz MMRXMLZAHUQEPP-KGLIPLIRSA-N 2 1 220.360 1.816 20 30 BDEDMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCC#N)C2 ZINC000595507421 348264858 /nfs/dbraw/zinc/26/48/58/348264858.db2.gz MQTARMKJKVQEJE-ZDUSSCGKSA-N 2 1 221.348 1.708 20 30 BDEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCC#N)C2 ZINC000595507421 348264860 /nfs/dbraw/zinc/26/48/60/348264860.db2.gz MQTARMKJKVQEJE-ZDUSSCGKSA-N 2 1 221.348 1.708 20 30 BDEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCC#N)C2 ZINC000595507421 348264863 /nfs/dbraw/zinc/26/48/63/348264863.db2.gz MQTARMKJKVQEJE-ZDUSSCGKSA-N 2 1 221.348 1.708 20 30 BDEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCC#N)C2 ZINC000595507421 348264865 /nfs/dbraw/zinc/26/48/65/348264865.db2.gz MQTARMKJKVQEJE-ZDUSSCGKSA-N 2 1 221.348 1.708 20 30 BDEDMP C[C@@H]([NH2+]CCc1ccc(C#N)cc1)[C@H]1CCC[NH2+]1 ZINC000596652586 348607211 /nfs/dbraw/zinc/60/72/11/348607211.db2.gz VCWBLUUMJOKTHC-IUODEOHRSA-N 2 1 243.354 1.831 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000276728752 180260522 /nfs/dbraw/zinc/26/05/22/180260522.db2.gz DCWPSDITLJDNFV-UHFFFAOYSA-N 2 1 243.314 1.192 20 30 BDEDMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000618578485 350679568 /nfs/dbraw/zinc/67/95/68/350679568.db2.gz AOWHNWSHRPMJTP-VXGBXAGGSA-N 2 1 232.331 1.635 20 30 BDEDMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000618578480 350679832 /nfs/dbraw/zinc/67/98/32/350679832.db2.gz AOWHNWSHRPMJTP-RYUDHWBXSA-N 2 1 232.331 1.635 20 30 BDEDMP C=CCC[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129350219 353314217 /nfs/dbraw/zinc/31/42/17/353314217.db2.gz DQWBZWPQFKOZTJ-CYBMUJFWSA-N 2 1 224.348 1.217 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+](C)CCCn1ccnc1 ZINC000181099954 353419887 /nfs/dbraw/zinc/41/98/87/353419887.db2.gz LQFHPDBKDSLMFC-CYBMUJFWSA-N 2 1 237.347 1.532 20 30 BDEDMP C=CC[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350182035 355621149 /nfs/dbraw/zinc/62/11/49/355621149.db2.gz WESIVNBYHCZFEZ-CYBMUJFWSA-N 2 1 226.364 1.605 20 30 BDEDMP C=C(C)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336510794 134148819 /nfs/dbraw/zinc/14/88/19/134148819.db2.gz NPMZJIMDZBHPNW-CYBMUJFWSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CCC[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000389932504 357069710 /nfs/dbraw/zinc/06/97/10/357069710.db2.gz LLQGUDKFNUKGGI-LLVKDONJSA-N 2 1 207.321 1.907 20 30 BDEDMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C#N)CC1 ZINC000120080601 134227347 /nfs/dbraw/zinc/22/73/47/134227347.db2.gz SNWBFKWOGILURH-ZDUSSCGKSA-N 2 1 221.348 1.706 20 30 BDEDMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C#N)CC1 ZINC000120080601 134227348 /nfs/dbraw/zinc/22/73/48/134227348.db2.gz SNWBFKWOGILURH-ZDUSSCGKSA-N 2 1 221.348 1.706 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCO[C@H]2C)CC1 ZINC000121045058 134231140 /nfs/dbraw/zinc/23/11/40/134231140.db2.gz DBGJFHBJGJFWBG-JSGCOSHPSA-N 2 1 238.375 1.794 20 30 BDEDMP CC#CC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375889843 134241162 /nfs/dbraw/zinc/24/11/62/134241162.db2.gz LKXPTTWRGMQXRB-OAHLLOKOSA-N 2 1 249.402 1.110 20 30 BDEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000167425106 358759272 /nfs/dbraw/zinc/75/92/72/358759272.db2.gz MXUBKGMVNHYYQD-TUAOUCFPSA-N 2 1 214.353 1.099 20 30 BDEDMP C#CC[N@H+](C)CCCNc1[nH]c2ccccc2[nH+]1 ZINC000292877489 359317090 /nfs/dbraw/zinc/31/70/90/359317090.db2.gz UMHORJSIHQNSJD-UHFFFAOYSA-N 2 1 242.326 1.930 20 30 BDEDMP C#CC[N@@H+](C)CCCNc1[nH]c2ccccc2[nH+]1 ZINC000292877489 359317096 /nfs/dbraw/zinc/31/70/96/359317096.db2.gz UMHORJSIHQNSJD-UHFFFAOYSA-N 2 1 242.326 1.930 20 30 BDEDMP C=CC(C)(C)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000629589792 361476889 /nfs/dbraw/zinc/47/68/89/361476889.db2.gz ZJXIALBZDMCCCZ-ZDUSSCGKSA-N 2 1 240.391 1.633 20 30 BDEDMP C=CC(C)(C)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000629589792 361476894 /nfs/dbraw/zinc/47/68/94/361476894.db2.gz ZJXIALBZDMCCCZ-ZDUSSCGKSA-N 2 1 240.391 1.633 20 30 BDEDMP C[N@@H+]1CC=C(CNC(=[NH2+])Nc2ccccc2)CC1 ZINC000271814075 364748448 /nfs/dbraw/zinc/74/84/48/364748448.db2.gz NXVKJQDRJCAYQR-UHFFFAOYSA-N 2 1 244.342 1.675 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCOC1(C)C ZINC000382226393 367499332 /nfs/dbraw/zinc/49/93/32/367499332.db2.gz OIGUTFGIFDECLF-LBPRGKRZSA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCOC1(C)C ZINC000382226393 367499335 /nfs/dbraw/zinc/49/93/35/367499335.db2.gz OIGUTFGIFDECLF-LBPRGKRZSA-N 2 1 224.348 1.099 20 30 BDEDMP Cc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1C#N ZINC000618594640 369180288 /nfs/dbraw/zinc/18/02/88/369180288.db2.gz SCOJFTFENWRHFF-GJZGRUSLSA-N 2 1 241.338 1.518 20 30 BDEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)o1 ZINC000600769279 369563218 /nfs/dbraw/zinc/56/32/18/369563218.db2.gz LDDZETLWCDWEBD-VHSXEESVSA-N 2 1 219.288 1.511 20 30 BDEDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000126865109 384182185 /nfs/dbraw/zinc/18/21/85/384182185.db2.gz TWFUKUXTMNPMJH-SMDDNHRTSA-N 2 1 229.327 1.727 20 30 BDEDMP C#CCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000372387154 533056897 /nfs/dbraw/zinc/05/68/97/533056897.db2.gz ZOADJCPISIGCTE-MGPQQGTHSA-N 2 1 218.344 1.426 20 30 BDEDMP C#CCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000372387154 533056898 /nfs/dbraw/zinc/05/68/98/533056898.db2.gz ZOADJCPISIGCTE-MGPQQGTHSA-N 2 1 218.344 1.426 20 30 BDEDMP C#CCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000372387154 533056902 /nfs/dbraw/zinc/05/69/02/533056902.db2.gz ZOADJCPISIGCTE-MGPQQGTHSA-N 2 1 218.344 1.426 20 30 BDEDMP C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000308914933 384384973 /nfs/dbraw/zinc/38/49/73/384384973.db2.gz FQMFITGXEQRGAV-CMPLNLGQSA-N 2 1 207.321 1.362 20 30 BDEDMP C#CC[N@@H+](CC#CC)CCCc1cncn1C ZINC000491429940 384835525 /nfs/dbraw/zinc/83/55/25/384835525.db2.gz WOSNVTXXTDBSII-UHFFFAOYSA-N 2 1 229.327 1.311 20 30 BDEDMP C#CC[N@@H+](CC#CC)CCCc1c[nH+]cn1C ZINC000491429940 384835541 /nfs/dbraw/zinc/83/55/41/384835541.db2.gz WOSNVTXXTDBSII-UHFFFAOYSA-N 2 1 229.327 1.311 20 30 BDEDMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)CC[N@H+]1C ZINC000414175988 386019174 /nfs/dbraw/zinc/01/91/74/386019174.db2.gz ZYDBSMFRAJMQTL-NEPJUHHUSA-N 2 1 223.364 1.999 20 30 BDEDMP C=CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334453974 386104100 /nfs/dbraw/zinc/10/41/00/386104100.db2.gz MOBWLXXSDZLVBS-KGLIPLIRSA-N 2 1 237.391 1.130 20 30 BDEDMP C=CCOc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415042520 386529346 /nfs/dbraw/zinc/52/93/46/386529346.db2.gz SPFKNQXQPCFXLE-FICVDOATSA-N 2 1 244.338 1.559 20 30 BDEDMP Cc1cc(NCC[N@H+](C)C2CC2)c(C#N)cn1 ZINC000399386576 386783387 /nfs/dbraw/zinc/78/33/87/386783387.db2.gz QSHUKBCONYUWGR-UHFFFAOYSA-N 2 1 230.315 1.190 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)[C@H]1C[C@@H]1C ZINC000321888700 387310212 /nfs/dbraw/zinc/31/02/12/387310212.db2.gz KXGDWXHJWJJYHQ-MELADBBJSA-N 2 1 222.376 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)[C@H]1C[C@@H]1C ZINC000321888700 387310214 /nfs/dbraw/zinc/31/02/14/387310214.db2.gz KXGDWXHJWJJYHQ-MELADBBJSA-N 2 1 222.376 1.966 20 30 BDEDMP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000423391541 387275355 /nfs/dbraw/zinc/27/53/55/387275355.db2.gz XAALMEUJIDKRON-WOPDTQHZSA-N 2 1 209.337 1.656 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)O)CC1 ZINC000572274793 387297283 /nfs/dbraw/zinc/29/72/83/387297283.db2.gz NXOBZWLJUBMPCC-NWDGAFQWSA-N 2 1 226.364 1.386 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H](C)O)CC1 ZINC000572274795 387297294 /nfs/dbraw/zinc/29/72/94/387297294.db2.gz NXOBZWLJUBMPCC-VXGBXAGGSA-N 2 1 226.364 1.386 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC1CC1 ZINC000392956717 387303363 /nfs/dbraw/zinc/30/33/63/387303363.db2.gz YUBRMCICRVEIJV-GFCCVEGCSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC1CC1 ZINC000392956717 387303368 /nfs/dbraw/zinc/30/33/68/387303368.db2.gz YUBRMCICRVEIJV-GFCCVEGCSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000327982679 387603690 /nfs/dbraw/zinc/60/36/90/387603690.db2.gz JGPOZCUTZIRRBT-STQMWFEESA-N 2 1 224.348 1.099 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000327982679 387603693 /nfs/dbraw/zinc/60/36/93/387603693.db2.gz JGPOZCUTZIRRBT-STQMWFEESA-N 2 1 224.348 1.099 20 30 BDEDMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442724547 387830772 /nfs/dbraw/zinc/83/07/72/387830772.db2.gz ZPLBIIBCNKINFF-QWHCGFSZSA-N 2 1 239.363 1.237 20 30 BDEDMP C=CCCOCC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423008621 387831271 /nfs/dbraw/zinc/83/12/71/387831271.db2.gz ARZHPXYPQAKFRP-OLZOCXBDSA-N 2 1 226.364 1.699 20 30 BDEDMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000423123233 387902176 /nfs/dbraw/zinc/90/21/76/387902176.db2.gz KSJHAMHXQJFJEM-RYUDHWBXSA-N 2 1 223.364 1.904 20 30 BDEDMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000423123032 387902808 /nfs/dbraw/zinc/90/28/08/387902808.db2.gz KSJHAMHXQJFJEM-NWDGAFQWSA-N 2 1 223.364 1.904 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000424299970 387961057 /nfs/dbraw/zinc/96/10/57/387961057.db2.gz WJMDWJIIMLVWDQ-RFGFWPKPSA-N 2 1 238.375 1.507 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000453350596 388054652 /nfs/dbraw/zinc/05/46/52/388054652.db2.gz LOMPVHLPAHDFOM-SYQHCUMBSA-N 2 1 238.375 1.792 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000453350596 388054654 /nfs/dbraw/zinc/05/46/54/388054654.db2.gz LOMPVHLPAHDFOM-SYQHCUMBSA-N 2 1 238.375 1.792 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000453350114 388054855 /nfs/dbraw/zinc/05/48/55/388054855.db2.gz IWALGCCNCKSOGH-LPWJVIDDSA-N 2 1 224.348 1.402 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000453350114 388054859 /nfs/dbraw/zinc/05/48/59/388054859.db2.gz IWALGCCNCKSOGH-LPWJVIDDSA-N 2 1 224.348 1.402 20 30 BDEDMP C=CCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104823 388143558 /nfs/dbraw/zinc/14/35/58/388143558.db2.gz ZAXQGVNCQZDRSX-UHFFFAOYSA-N 2 1 224.348 1.359 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000491071177 388267872 /nfs/dbraw/zinc/26/78/72/388267872.db2.gz IJGAPLKSUWBRSP-UONOGXRCSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000491071177 388267874 /nfs/dbraw/zinc/26/78/74/388267874.db2.gz IJGAPLKSUWBRSP-UONOGXRCSA-N 2 1 238.375 1.489 20 30 BDEDMP N#CCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000573249928 388436428 /nfs/dbraw/zinc/43/64/28/388436428.db2.gz NEHIEADDBLWILO-ZIAGYGMSSA-N 2 1 229.327 1.722 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(C)C ZINC000328297168 388593599 /nfs/dbraw/zinc/59/35/99/388593599.db2.gz TTXQROFNEOFKEY-ZDUSSCGKSA-N 2 1 210.365 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(C)C ZINC000328297168 388593601 /nfs/dbraw/zinc/59/36/01/388593601.db2.gz TTXQROFNEOFKEY-ZDUSSCGKSA-N 2 1 210.365 1.966 20 30 BDEDMP C[NH+](C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC000019958337 388752945 /nfs/dbraw/zinc/75/29/45/388752945.db2.gz UGKJPURLCZJMDS-UHFFFAOYSA-N 2 1 217.316 1.600 20 30 BDEDMP C=CCC[C@H](CCC)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358252011 134187253 /nfs/dbraw/zinc/18/72/53/134187253.db2.gz NHVLBEGSSDSUKK-UONOGXRCSA-N 2 1 240.391 1.778 20 30 BDEDMP C=CCC[C@H](CCC)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358252011 134187254 /nfs/dbraw/zinc/18/72/54/134187254.db2.gz NHVLBEGSSDSUKK-UONOGXRCSA-N 2 1 240.391 1.778 20 30 BDEDMP C=C(C)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361519286 134206207 /nfs/dbraw/zinc/20/62/07/134206207.db2.gz NOZYHLNQFLKRNO-UHFFFAOYSA-N 2 1 247.342 1.788 20 30 BDEDMP CC#CC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375889834 134241395 /nfs/dbraw/zinc/24/13/95/134241395.db2.gz LKXPTTWRGMQXRB-HNNXBMFYSA-N 2 1 249.402 1.110 20 30 BDEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCCC#N)CC[C@H]21 ZINC000227336432 134378110 /nfs/dbraw/zinc/37/81/10/134378110.db2.gz MLXGKGVAULIJDT-CHWSQXEVSA-N 2 1 221.348 1.706 20 30 BDEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCCC#N)CC[C@H]21 ZINC000227336432 134378111 /nfs/dbraw/zinc/37/81/11/134378111.db2.gz MLXGKGVAULIJDT-CHWSQXEVSA-N 2 1 221.348 1.706 20 30 BDEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCC#N)CC[C@H]21 ZINC000227336432 134378112 /nfs/dbraw/zinc/37/81/12/134378112.db2.gz MLXGKGVAULIJDT-CHWSQXEVSA-N 2 1 221.348 1.706 20 30 BDEDMP C=CCC[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000338549523 135038416 /nfs/dbraw/zinc/03/84/16/135038416.db2.gz SAEXIIPXYTVLNQ-AWEZNQCLSA-N 2 1 240.391 1.995 20 30 BDEDMP C=C(Cl)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000262348952 135117516 /nfs/dbraw/zinc/11/75/16/135117516.db2.gz DUDIMYWPNCTNEA-JTQLQIEISA-N 2 1 244.770 1.128 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000341871920 135243885 /nfs/dbraw/zinc/24/38/85/135243885.db2.gz DJECFRZYDVCKKQ-YIYPIFLZSA-N 2 1 240.391 1.489 20 30 BDEDMP C=CCNC(=[NH2+])NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000261902792 135261744 /nfs/dbraw/zinc/26/17/44/135261744.db2.gz WLBPVAOWWYPMLE-GFCCVEGCSA-N 2 1 238.379 1.197 20 30 BDEDMP CC[C@@H]1C[C@H]1NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000262784170 135318256 /nfs/dbraw/zinc/31/82/56/135318256.db2.gz JKQNDYCAENILIE-IJLUTSLNSA-N 2 1 238.379 1.174 20 30 BDEDMP N#Cc1cccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000335562416 136106488 /nfs/dbraw/zinc/10/64/88/136106488.db2.gz MHBQYBWXFOVDPW-OLZOCXBDSA-N 2 1 215.300 1.528 20 30 BDEDMP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000335562415 136106807 /nfs/dbraw/zinc/10/68/07/136106807.db2.gz MHBQYBWXFOVDPW-CHWSQXEVSA-N 2 1 215.300 1.528 20 30 BDEDMP C=CCC[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000320975274 398035063 /nfs/dbraw/zinc/03/50/63/398035063.db2.gz HCMYQEWNFQDSBW-MCIONIFRSA-N 2 1 238.375 1.530 20 30 BDEDMP C[C@]1(C[NH3+])CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000334448582 398092245 /nfs/dbraw/zinc/09/22/45/398092245.db2.gz OLQSCZQLOCOUSR-CQSZACIVSA-N 2 1 229.327 1.729 20 30 BDEDMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000334448582 398092247 /nfs/dbraw/zinc/09/22/47/398092247.db2.gz OLQSCZQLOCOUSR-CQSZACIVSA-N 2 1 229.327 1.729 20 30 BDEDMP C#CCCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000271040947 166129229 /nfs/dbraw/zinc/12/92/29/166129229.db2.gz SYIYERMTAIDDOO-UHFFFAOYSA-N 2 1 219.332 1.927 20 30 BDEDMP C#CCCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000271040947 166129231 /nfs/dbraw/zinc/12/92/31/166129231.db2.gz SYIYERMTAIDDOO-UHFFFAOYSA-N 2 1 219.332 1.927 20 30 BDEDMP C=CCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655764502 411234421 /nfs/dbraw/zinc/23/44/21/411234421.db2.gz JECZNTGLPUZFAU-AWEZNQCLSA-N 2 1 238.375 1.796 20 30 BDEDMP C=C[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655722506 411295510 /nfs/dbraw/zinc/29/55/10/411295510.db2.gz CHJHKLUJJKRJQI-TZMCWYRMSA-N 2 1 238.375 1.794 20 30 BDEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000657875954 411614668 /nfs/dbraw/zinc/61/46/68/411614668.db2.gz QZNJKDMOAQVGKK-HZSPNIEDSA-N 2 1 240.391 1.633 20 30 BDEDMP C=CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)COC ZINC000661239484 411740355 /nfs/dbraw/zinc/74/03/55/411740355.db2.gz GPPPHXGMTLJINB-UONOGXRCSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CC[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)COC ZINC000661239484 411740358 /nfs/dbraw/zinc/74/03/58/411740358.db2.gz GPPPHXGMTLJINB-UONOGXRCSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](C)COC ZINC000661239484 411740362 /nfs/dbraw/zinc/74/03/62/411740362.db2.gz GPPPHXGMTLJINB-UONOGXRCSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CC[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](C)COC ZINC000661239484 411740364 /nfs/dbraw/zinc/74/03/64/411740364.db2.gz GPPPHXGMTLJINB-UONOGXRCSA-N 2 1 240.391 1.994 20 30 BDEDMP C(#CC[N@H+]1CC[C@@H]2C[C@@H]2C1)C[NH+]1CC[C@H]2C[C@H]2C1 ZINC000661967162 411923641 /nfs/dbraw/zinc/92/36/41/411923641.db2.gz CDDTUSLXIKAALI-GEEKYZPCSA-N 2 1 244.382 1.673 20 30 BDEDMP C(#CC[N@@H+]1CC[C@H]2C[C@H]2C1)C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000661967162 411923643 /nfs/dbraw/zinc/92/36/43/411923643.db2.gz CDDTUSLXIKAALI-GEEKYZPCSA-N 2 1 244.382 1.673 20 30 BDEDMP C(#CC[N@H+]1CC[C@H]2C[C@H]2C1)C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000661967162 411923649 /nfs/dbraw/zinc/92/36/49/411923649.db2.gz CDDTUSLXIKAALI-GEEKYZPCSA-N 2 1 244.382 1.673 20 30 BDEDMP C=C(C)CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152319 412008131 /nfs/dbraw/zinc/00/81/31/412008131.db2.gz RNEOVRCOZUVNKG-AWEZNQCLSA-N 2 1 238.375 1.484 20 30 BDEDMP C=CC[N@@H+](CC1CC[NH2+]CC1)[C@@H](C)COC ZINC000662218136 412030022 /nfs/dbraw/zinc/03/00/22/412030022.db2.gz VIESCMFEHREOCA-LBPRGKRZSA-N 2 1 226.364 1.509 20 30 BDEDMP C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1C[NH3+] ZINC000163476139 177165235 /nfs/dbraw/zinc/16/52/35/177165235.db2.gz YNVBCCXMCHUDAC-WFASDCNBSA-N 2 1 243.354 1.975 20 30 BDEDMP C=CCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652361679 487932957 /nfs/dbraw/zinc/93/29/57/487932957.db2.gz MIFSHPYJNVSQIQ-BFHYXJOUSA-N 2 1 238.375 1.923 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+]C[C@H](C#N)CCC#N ZINC000564322030 325359709 /nfs/dbraw/zinc/35/97/09/325359709.db2.gz ZIXBOTSPVMPURT-LBPRGKRZSA-N 2 1 231.303 1.225 20 30 BDEDMP C=CCOCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000303552220 490167974 /nfs/dbraw/zinc/16/79/74/490167974.db2.gz XARKEQDEORXRFA-QWHCGFSZSA-N 2 1 224.348 1.405 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000341888217 534403526 /nfs/dbraw/zinc/40/35/26/534403526.db2.gz QBHSTLOZGCGRJX-IHRRRGAJSA-N 2 1 240.391 1.491 20 30 BDEDMP C[N@@H+]1CCC[C@]2(CC[NH+](CCCC#N)C2)C1 ZINC000335904286 536395611 /nfs/dbraw/zinc/39/56/11/536395611.db2.gz AJSQLUQCMFIPEG-ZDUSSCGKSA-N 2 1 221.348 1.708 20 30 BDEDMP C[N@H+]1CCC[C@]2(CC[NH+](CCCC#N)C2)C1 ZINC000335904286 536395613 /nfs/dbraw/zinc/39/56/13/536395613.db2.gz AJSQLUQCMFIPEG-ZDUSSCGKSA-N 2 1 221.348 1.708 20 30 BDEDMP C[NH+]1CCC[C@]2(CC[N@H+](CCCC#N)C2)C1 ZINC000335904286 536395616 /nfs/dbraw/zinc/39/56/16/536395616.db2.gz AJSQLUQCMFIPEG-ZDUSSCGKSA-N 2 1 221.348 1.708 20 30 BDEDMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCC#N)C2)C1 ZINC000335904286 536395618 /nfs/dbraw/zinc/39/56/18/536395618.db2.gz AJSQLUQCMFIPEG-ZDUSSCGKSA-N 2 1 221.348 1.708 20 30 BDEDMP C=CCOCCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000348047169 534874168 /nfs/dbraw/zinc/87/41/68/534874168.db2.gz FMUNPOVAGRXCES-KGLIPLIRSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CCOCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000348047169 534874171 /nfs/dbraw/zinc/87/41/71/534874171.db2.gz FMUNPOVAGRXCES-KGLIPLIRSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CCOCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000348047169 534874172 /nfs/dbraw/zinc/87/41/72/534874172.db2.gz FMUNPOVAGRXCES-KGLIPLIRSA-N 2 1 240.391 1.994 20 30 BDEDMP C=CCOCCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000348047169 534874176 /nfs/dbraw/zinc/87/41/76/534874176.db2.gz FMUNPOVAGRXCES-KGLIPLIRSA-N 2 1 240.391 1.994 20 30 BDEDMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])NC(C)C)C1 ZINC000262352823 535134119 /nfs/dbraw/zinc/13/41/19/535134119.db2.gz FKMLPPNUSUJWEF-GFCCVEGCSA-N 2 1 240.395 1.277 20 30 BDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CC[C@@H]1C ZINC000262632626 535549003 /nfs/dbraw/zinc/54/90/03/535549003.db2.gz GAPZMJGOIJXACE-TUAOUCFPSA-N 2 1 238.379 1.174 20 30 BDEDMP C=CCNC(=[NH2+])NCCCC[N@H+](C)C1CC1 ZINC000849039525 582838518 /nfs/dbraw/zinc/83/85/18/582838518.db2.gz DBFZBIZTNJYWCC-UHFFFAOYSA-N 2 1 224.352 1.161 20 30 BDEDMP C#C[C@@H]1CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000895204570 583625074 /nfs/dbraw/zinc/62/50/74/583625074.db2.gz DTDSEXTXSPODKQ-CYBMUJFWSA-N 2 1 220.360 1.673 20 30 BDEDMP C#CC[C@@H](COC)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858335464 588943685 /nfs/dbraw/zinc/94/36/85/588943685.db2.gz YTCYAGMGXQQAQS-STQMWFEESA-N 2 1 238.375 1.487 20 30 BDEDMP C#CC[C@H](COC)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858335463 588944030 /nfs/dbraw/zinc/94/40/30/588944030.db2.gz YTCYAGMGXQQAQS-QWHCGFSZSA-N 2 1 238.375 1.487 20 30 BDEDMP N#CC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000903033533 584718656 /nfs/dbraw/zinc/71/86/56/584718656.db2.gz WRAFXLCGQFRRFN-OLZOCXBDSA-N 2 1 233.359 1.897 20 30 BDEDMP N#CC1CCC(C[N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000903421381 584764102 /nfs/dbraw/zinc/76/41/02/584764102.db2.gz NJSYUOZLYRAAPS-HTAVTVPLSA-N 2 1 207.321 1.349 20 30 BDEDMP N#CC1CCC(C[N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000903421381 584764104 /nfs/dbraw/zinc/76/41/04/584764104.db2.gz NJSYUOZLYRAAPS-HTAVTVPLSA-N 2 1 207.321 1.349 20 30 BDEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000903422617 584764371 /nfs/dbraw/zinc/76/43/71/584764371.db2.gz GMIZGJBKXHSIMP-CYBMUJFWSA-N 2 1 243.354 1.956 20 30 BDEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000903422618 584764627 /nfs/dbraw/zinc/76/46/27/584764627.db2.gz GMIZGJBKXHSIMP-ZDUSSCGKSA-N 2 1 243.354 1.956 20 30 BDEDMP N#C[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000903563700 584782473 /nfs/dbraw/zinc/78/24/73/584782473.db2.gz JSBSBSGAWQJEBS-NWDGAFQWSA-N 2 1 207.321 1.222 20 30 BDEDMP C[N@@H+](CCOCC[NH3+])Cc1cc(C#N)cs1 ZINC000903826296 584804894 /nfs/dbraw/zinc/80/48/94/584804894.db2.gz HMDDNQBQZKUDOO-UHFFFAOYSA-N 2 1 239.344 1.027 20 30 BDEDMP C=CCCC[N@H+](CC)CCOCC[NH3+] ZINC000903850195 584808388 /nfs/dbraw/zinc/80/83/88/584808388.db2.gz LYWKHOWUNCBEFB-UHFFFAOYSA-N 2 1 200.326 1.250 20 30 BDEDMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000903968415 584834910 /nfs/dbraw/zinc/83/49/10/584834910.db2.gz VNLBRHXFOKWHLU-ZJUUUORDSA-N 2 1 219.288 1.096 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1C[NH3+] ZINC000904411364 584879773 /nfs/dbraw/zinc/87/97/73/584879773.db2.gz UWFQWRAUCJFMDM-IUODEOHRSA-N 2 1 243.354 1.975 20 30 BDEDMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817979947 584994687 /nfs/dbraw/zinc/99/46/87/584994687.db2.gz QLVRARBVEOZSKX-WCQYABFASA-N 2 1 247.342 1.977 20 30 BDEDMP C#CCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000815143865 586669694 /nfs/dbraw/zinc/66/96/94/586669694.db2.gz OSWDGXXYWVYRDR-AWEZNQCLSA-N 2 1 220.360 1.818 20 30 BDEDMP C#CCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815143865 586669695 /nfs/dbraw/zinc/66/96/95/586669695.db2.gz OSWDGXXYWVYRDR-AWEZNQCLSA-N 2 1 220.360 1.818 20 30 BDEDMP C#CCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815143865 586669696 /nfs/dbraw/zinc/66/96/96/586669696.db2.gz OSWDGXXYWVYRDR-AWEZNQCLSA-N 2 1 220.360 1.818 20 30 BDEDMP C#C[C@@H]([NH2+]CCCc1c[nH+]cn1C)[C@H]1CCCO1 ZINC000846861709 588294118 /nfs/dbraw/zinc/29/41/18/588294118.db2.gz QUZPVPIDGBSLGB-ZIAGYGMSSA-N 2 1 247.342 1.123 20 30 BDEDMP C#C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000847021324 588302666 /nfs/dbraw/zinc/30/26/66/588302666.db2.gz JNAZGGLJHLUYEL-ZIAGYGMSSA-N 2 1 220.360 1.816 20 30 BDEDMP C#C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000847021324 588302667 /nfs/dbraw/zinc/30/26/67/588302667.db2.gz JNAZGGLJHLUYEL-ZIAGYGMSSA-N 2 1 220.360 1.816 20 30 BDEDMP C#C[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000847021324 588302668 /nfs/dbraw/zinc/30/26/68/588302668.db2.gz JNAZGGLJHLUYEL-ZIAGYGMSSA-N 2 1 220.360 1.816 20 30 BDEDMP C#CCOCC[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000851790896 588629340 /nfs/dbraw/zinc/62/93/40/588629340.db2.gz RAULKPQHMYQTQO-AWEZNQCLSA-N 2 1 238.375 1.300 20 30 BDEDMP C#CCOCC[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000851790896 588629341 /nfs/dbraw/zinc/62/93/41/588629341.db2.gz RAULKPQHMYQTQO-AWEZNQCLSA-N 2 1 238.375 1.300 20 30 BDEDMP C#CCOCCN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000852107347 588663981 /nfs/dbraw/zinc/66/39/81/588663981.db2.gz KXNIYVSRYQRIDX-CQSZACIVSA-N 2 1 236.359 1.054 20 30 BDEDMP C#CCOCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000852107347 588663982 /nfs/dbraw/zinc/66/39/82/588663982.db2.gz KXNIYVSRYQRIDX-CQSZACIVSA-N 2 1 236.359 1.054 20 30 BDEDMP C#CCOCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000852107347 588663983 /nfs/dbraw/zinc/66/39/83/588663983.db2.gz KXNIYVSRYQRIDX-CQSZACIVSA-N 2 1 236.359 1.054 20 30 BDEDMP C=CC[N@@H+](C[C@@H](O)CN1CCCC1)C(C)(C)C ZINC000852553746 588689532 /nfs/dbraw/zinc/68/95/32/588689532.db2.gz VDXFVLOYJIHHJN-ZDUSSCGKSA-N 2 1 240.391 1.730 20 30 BDEDMP C=CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000852553746 588689533 /nfs/dbraw/zinc/68/95/33/588689533.db2.gz VDXFVLOYJIHHJN-ZDUSSCGKSA-N 2 1 240.391 1.730 20 30 BDEDMP C#CC[C@H](CCOC)[NH2+]C1CC[NH+](CC)CC1 ZINC000862547480 589220108 /nfs/dbraw/zinc/22/01/08/589220108.db2.gz HGLSVCOSWULVJY-CYBMUJFWSA-N 2 1 238.375 1.489 20 30 BDEDMP C[N@@H+](CCOCC[NH3+])CCc1cccc(C#N)c1 ZINC000866698054 589512891 /nfs/dbraw/zinc/51/28/91/589512891.db2.gz LRRJTMFKBHYPIH-UHFFFAOYSA-N 2 1 247.342 1.008 20 30 BDEDMP C[N@@H+](CCc1cccc(C#N)c1)C[C@H]1CC[NH2+]C1 ZINC000866698459 589512919 /nfs/dbraw/zinc/51/29/19/589512919.db2.gz VQEURXGKOXINAX-HNNXBMFYSA-N 2 1 243.354 1.642 20 30 BDEDMP C[C@@H]1C(=NNCC[NH+]2CCCCC2)CC[N@H+]1C ZINC000872344262 589915911 /nfs/dbraw/zinc/91/59/11/589915911.db2.gz RCOKPJRBRLBGAV-GFCCVEGCSA-N 2 1 238.379 1.142 20 30 BDEDMP C[C@@H]1C(=NNCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000872344262 589915913 /nfs/dbraw/zinc/91/59/13/589915913.db2.gz RCOKPJRBRLBGAV-GFCCVEGCSA-N 2 1 238.379 1.142 20 30 BDEDMP C[C@H](CCC#N)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877741032 590409809 /nfs/dbraw/zinc/40/98/09/590409809.db2.gz MEDVOTAEMZVZHZ-RDBSUJKOSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877741032 590409812 /nfs/dbraw/zinc/40/98/12/590409812.db2.gz MEDVOTAEMZVZHZ-RDBSUJKOSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877741032 590409819 /nfs/dbraw/zinc/40/98/19/590409819.db2.gz MEDVOTAEMZVZHZ-RDBSUJKOSA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H](CCC#N)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877741032 590409822 /nfs/dbraw/zinc/40/98/22/590409822.db2.gz MEDVOTAEMZVZHZ-RDBSUJKOSA-N 2 1 235.375 1.952 20 30 BDEDMP C[N@@H+]1CC[C@H]2C[NH+](CCC(C)(C)C#N)CC[C@@H]21 ZINC000879577454 590812662 /nfs/dbraw/zinc/81/26/62/590812662.db2.gz IULWCRQJLHICHZ-STQMWFEESA-N 2 1 235.375 1.952 20 30 BDEDMP C[N@H+]1CC[C@H]2C[NH+](CCC(C)(C)C#N)CC[C@@H]21 ZINC000879577454 590812665 /nfs/dbraw/zinc/81/26/65/590812665.db2.gz IULWCRQJLHICHZ-STQMWFEESA-N 2 1 235.375 1.952 20 30 BDEDMP C[NH+]1CC[C@H]2C[N@H+](CCC(C)(C)C#N)CC[C@@H]21 ZINC000879577454 590812667 /nfs/dbraw/zinc/81/26/67/590812667.db2.gz IULWCRQJLHICHZ-STQMWFEESA-N 2 1 235.375 1.952 20 30 BDEDMP C[NH+]1CC[C@H]2C[N@@H+](CCC(C)(C)C#N)CC[C@@H]21 ZINC000879577454 590812669 /nfs/dbraw/zinc/81/26/69/590812669.db2.gz IULWCRQJLHICHZ-STQMWFEESA-N 2 1 235.375 1.952 20 30 BDEDMP C[C@H]1C[N@@H+](CCCC#N)CCN1c1cc[nH+]cc1 ZINC000880259414 590980003 /nfs/dbraw/zinc/98/00/03/590980003.db2.gz SDJJOMQJPVOTEH-ZDUSSCGKSA-N 2 1 244.342 1.896 20 30 BDEDMP C#CC[N@@H+]1CCC[C@H](Nc2cc[nH+]c(CC)c2)C1 ZINC000884610531 591993836 /nfs/dbraw/zinc/99/38/36/591993836.db2.gz OSYPSNLPNLKOOK-HNNXBMFYSA-N 2 1 243.354 1.575 20 30 BDEDMP C#CC[N@@H+](C)CCCNCc1[nH]nc(C)c1C ZINC000886127493 592159227 /nfs/dbraw/zinc/15/92/27/592159227.db2.gz LQSNHMHSYILWPT-UHFFFAOYSA-N 2 1 234.347 1.071 20 30 BDEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CC[N@H+](CCC)C1 ZINC000104179706 592603566 /nfs/dbraw/zinc/60/35/66/592603566.db2.gz XHCBDMSEBMLKLM-GFCCVEGCSA-N 2 1 238.379 1.199 20 30 BDEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])N(CC)CC)C1 ZINC000104179654 634589885 /nfs/dbraw/zinc/58/98/85/634589885.db2.gz KTBUYJUXXHPNTP-GFCCVEGCSA-N 2 1 240.395 1.375 20 30 BDEDMP C=CC[C@H]1CC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000934470646 631864859 /nfs/dbraw/zinc/86/48/59/631864859.db2.gz PDDHVDRDENJOES-STQMWFEESA-N 2 1 224.348 1.094 20 30 BDEDMP C=CC[C@H]1CC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000934470646 631864860 /nfs/dbraw/zinc/86/48/60/631864860.db2.gz PDDHVDRDENJOES-STQMWFEESA-N 2 1 224.348 1.094 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]CC1(OC)CCCC1 ZINC000319828254 635857600 /nfs/dbraw/zinc/85/76/00/635857600.db2.gz IWCRKBMTJINIGJ-UHFFFAOYSA-N 2 1 238.375 1.490 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]CC1(OC)CCCC1 ZINC000319828254 635857602 /nfs/dbraw/zinc/85/76/02/635857602.db2.gz IWCRKBMTJINIGJ-UHFFFAOYSA-N 2 1 238.375 1.490 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cccs1 ZINC000328235188 633747306 /nfs/dbraw/zinc/74/73/06/633747306.db2.gz FQTVWZGVAAFOKS-UHFFFAOYSA-N 2 1 222.357 1.793 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccs1 ZINC000328235188 633747313 /nfs/dbraw/zinc/74/73/13/633747313.db2.gz FQTVWZGVAAFOKS-UHFFFAOYSA-N 2 1 222.357 1.793 20 30 BDEDMP C#CCCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000309982833 634026159 /nfs/dbraw/zinc/02/61/59/634026159.db2.gz XANJXHGUYUFZDS-UHFFFAOYSA-N 2 1 237.372 1.708 20 30 BDEDMP C=CCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931285490 634310406 /nfs/dbraw/zinc/31/04/06/634310406.db2.gz MDBLRLBWTFAKIF-UHFFFAOYSA-N 2 1 238.375 1.749 20 30 BDEDMP C=CCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931285490 634310408 /nfs/dbraw/zinc/31/04/08/634310408.db2.gz MDBLRLBWTFAKIF-UHFFFAOYSA-N 2 1 238.375 1.749 20 30 BDEDMP N#C[C@H]1CCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000903564505 637368564 /nfs/dbraw/zinc/36/85/64/637368564.db2.gz XWIDLWXRJQRJAM-QJPTWQEYSA-N 2 1 207.321 1.349 20 30 BDEDMP C#CC[N@H+](CCCn1ccnc1)C(C)C ZINC000932387203 640515610 /nfs/dbraw/zinc/51/56/10/640515610.db2.gz BGDOIDUGYNPZBR-UHFFFAOYSA-N 2 1 205.305 1.617 20 30 BDEDMP C=CC[N@@H+](CCOC)C[C@]1(C)CCC[NH2+]C1 ZINC000234688849 643644422 /nfs/dbraw/zinc/64/44/22/643644422.db2.gz SGRRUWNTDVRZAZ-CYBMUJFWSA-N 2 1 226.364 1.511 20 30 BDEDMP C=CC[N@H+](CCOC)C[C@]1(C)CCC[NH2+]C1 ZINC000234688849 643644425 /nfs/dbraw/zinc/64/44/25/643644425.db2.gz SGRRUWNTDVRZAZ-CYBMUJFWSA-N 2 1 226.364 1.511 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923326164 644352687 /nfs/dbraw/zinc/35/26/87/644352687.db2.gz FSRZEJMYYPBQDJ-CYBMUJFWSA-N 2 1 238.375 1.389 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000923343036 644363097 /nfs/dbraw/zinc/36/30/97/644363097.db2.gz BFMAZFVGGRYVDQ-FRRDWIJNSA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000923361944 644387156 /nfs/dbraw/zinc/38/71/56/644387156.db2.gz ITMYTYRZAFLZHO-NSHDSACASA-N 2 1 212.337 1.127 20 30 BDEDMP C=CCC[C@H](O)C[N@H+](C)C1(C[NH3+])CCC1 ZINC000923361944 644387161 /nfs/dbraw/zinc/38/71/61/644387161.db2.gz ITMYTYRZAFLZHO-NSHDSACASA-N 2 1 212.337 1.127 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923391359 644396755 /nfs/dbraw/zinc/39/67/55/644396755.db2.gz DVBSOGLFJSIFSM-ROKHWSDSSA-N 2 1 238.375 1.517 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923391359 644396758 /nfs/dbraw/zinc/39/67/58/644396758.db2.gz DVBSOGLFJSIFSM-ROKHWSDSSA-N 2 1 238.375 1.517 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000923387259 644397946 /nfs/dbraw/zinc/39/79/46/644397946.db2.gz HWVLSZOIWCAPQM-MJBXVCDLSA-N 2 1 238.375 1.374 20 30 BDEDMP CCCCCCC[N@H+]1CCNCC[NH2+]CC1 ZINC000923465301 644443385 /nfs/dbraw/zinc/44/33/85/644443385.db2.gz BNUFPQOLZHNAFV-UHFFFAOYSA-N 2 1 227.396 1.452 20 30 BDEDMP CCC[N@H+]1CC[C@H](CNC(NCC)=[NH+]CC)C1 ZINC000303260472 644813122 /nfs/dbraw/zinc/81/31/22/644813122.db2.gz NEBNXWJIMXWNDQ-GFCCVEGCSA-N 2 1 240.395 1.293 20 30 BDEDMP CCN(CC)C(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303691084 644838012 /nfs/dbraw/zinc/83/80/12/644838012.db2.gz AFKAHDWKIGQZJM-NSHDSACASA-N 2 1 226.368 1.127 20 30 BDEDMP CCCCNC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000303896177 644856658 /nfs/dbraw/zinc/85/66/58/644856658.db2.gz PUFJHWQFHWXANA-NSHDSACASA-N 2 1 238.379 1.175 20 30 BDEDMP C=CCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000849023910 645447368 /nfs/dbraw/zinc/44/73/68/645447368.db2.gz LLOHJRGQRXBBJD-GFCCVEGCSA-N 2 1 238.379 1.551 20 30 BDEDMP C#Cc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000857782877 645666020 /nfs/dbraw/zinc/66/60/20/645666020.db2.gz IEXVRKQNCVYBDS-UHFFFAOYSA-N 2 1 239.322 1.734 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@H+](CCC(C)(C)C#N)C[C@]2(C)C1 ZINC000702478282 712054701 /nfs/dbraw/zinc/05/47/01/712054701.db2.gz JZZMQQRICACTCI-OCCSQVGLSA-N 2 1 235.375 1.810 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@@H+](CCC(C)(C)C#N)C[C@]2(C)C1 ZINC000702478282 712054702 /nfs/dbraw/zinc/05/47/02/712054702.db2.gz JZZMQQRICACTCI-OCCSQVGLSA-N 2 1 235.375 1.810 20 30 BDEDMP N#CC1CCC(C[N@@H+]2CC[C@H](CC[NH3+])C2)CC1 ZINC000923480122 712334735 /nfs/dbraw/zinc/33/47/35/712334735.db2.gz VTMLUMNACPXVQF-RUXDESIVSA-N 2 1 235.375 1.987 20 30 BDEDMP C#CC[C@H](COC)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000716853495 712578542 /nfs/dbraw/zinc/57/85/42/712578542.db2.gz AGSFFHGJIXVZNT-MGPQQGTHSA-N 2 1 236.359 1.241 20 30 BDEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723881561 710732440 /nfs/dbraw/zinc/73/24/40/710732440.db2.gz ADUZKOJACKWRBT-PSASIEDQSA-N 2 1 202.729 1.656 20 30 BDEDMP CCC#C[C@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440418 711714430 /nfs/dbraw/zinc/71/44/30/711714430.db2.gz UWLKIMHYHUEFNN-MELADBBJSA-N 2 1 220.360 1.672 20 30 BDEDMP CCC#C[C@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931440418 711714433 /nfs/dbraw/zinc/71/44/33/711714433.db2.gz UWLKIMHYHUEFNN-MELADBBJSA-N 2 1 220.360 1.672 20 30 BDEDMP CCC#C[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931440418 711714434 /nfs/dbraw/zinc/71/44/34/711714434.db2.gz UWLKIMHYHUEFNN-MELADBBJSA-N 2 1 220.360 1.672 20 30 BDEDMP C[NH+]1C[C@@]2(C)C[NH+](CCCCC#N)C[C@]2(C)C1 ZINC000706258377 711911148 /nfs/dbraw/zinc/91/11/48/711911148.db2.gz YETZGGXYIYSSCL-KBPBESRZSA-N 2 1 235.375 1.954 20 30 BDEDMP C[N@@H+]1C[C@@H]2C[NH+](CCC(C)(C)C#N)C[C@]2(C)C1 ZINC000702478282 712054699 /nfs/dbraw/zinc/05/46/99/712054699.db2.gz JZZMQQRICACTCI-OCCSQVGLSA-N 2 1 235.375 1.810 20 30 BDEDMP C[N@H+]1C[C@@H]2C[NH+](CCC(C)(C)C#N)C[C@]2(C)C1 ZINC000702478282 712054700 /nfs/dbraw/zinc/05/47/00/712054700.db2.gz JZZMQQRICACTCI-OCCSQVGLSA-N 2 1 235.375 1.810 20 30 BDEDMP C=CC[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000715003955 712503832 /nfs/dbraw/zinc/50/38/32/712503832.db2.gz YFOSENQRYXBJAT-IJLUTSLNSA-N 2 1 212.337 1.247 20 30 BDEDMP C#CC[C@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000716846034 712578299 /nfs/dbraw/zinc/57/82/99/712578299.db2.gz JXECIAGXRFTVNR-RLAWYHOSSA-N 2 1 236.359 1.240 20 30 BDEDMP C#CC[N@@H+]1CCC[C@H](Nc2cc[nH+]c(C)c2)C1 ZINC000884611957 712647725 /nfs/dbraw/zinc/64/77/25/712647725.db2.gz ZQDJULREYYUOHF-AWEZNQCLSA-N 2 1 229.327 1.321 20 30 BDEDMP CC[N@@H+](CCC#N)CC1(C)CC[NH+](C)CC1 ZINC001208107553 969000250 /nfs/dbraw/zinc/00/02/50/969000250.db2.gz VUUHTKNIXQDLPY-UHFFFAOYSA-N 2 1 223.364 1.954 20 30 BDEDMP CC[NH+]1CCC(C[N@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC001208602524 969155278 /nfs/dbraw/zinc/15/52/78/969155278.db2.gz GXDFNEBUNNRVGC-AWEZNQCLSA-N 2 1 235.375 1.954 20 30 BDEDMP C#CC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169106952 969443681 /nfs/dbraw/zinc/44/36/81/969443681.db2.gz BNDQQIBBZVXQEJ-CNDDSTCGSA-N 2 1 204.317 1.367 20 30 BDEDMP C#CC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169106952 969443687 /nfs/dbraw/zinc/44/36/87/969443687.db2.gz BNDQQIBBZVXQEJ-CNDDSTCGSA-N 2 1 204.317 1.367 20 30 BDEDMP C#CCCC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235123394 978979272 /nfs/dbraw/zinc/97/92/72/978979272.db2.gz JTLDEHVWHBOVOZ-ZDUSSCGKSA-N 2 1 206.333 1.618 20 30 BDEDMP C#CCCC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235123394 978979277 /nfs/dbraw/zinc/97/92/77/978979277.db2.gz JTLDEHVWHBOVOZ-ZDUSSCGKSA-N 2 1 206.333 1.618 20 30 BDEDMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C#N)CC2)C[NH2+]1 ZINC001246206768 972216630 /nfs/dbraw/zinc/21/66/30/972216630.db2.gz SOICCEKLWMCOQG-FDYHWXHSSA-N 2 1 221.348 1.799 20 30 BDEDMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)C[NH2+]1 ZINC001246206772 972216932 /nfs/dbraw/zinc/21/69/32/972216932.db2.gz SOICCEKLWMCOQG-RVMXOQNASA-N 2 1 221.348 1.799 20 30 BDEDMP C=CCC[C@@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246451480 972321235 /nfs/dbraw/zinc/32/12/35/972321235.db2.gz HJVQNIUPABVKIR-GFCCVEGCSA-N 3 1 213.369 1.259 20 30 BDEDMP C[NH2+]CCC[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000402180500 958182032 /nfs/dbraw/zinc/18/20/32/958182032.db2.gz XUHKRSAUHTYCLT-AWEZNQCLSA-N 2 1 247.342 1.133 20 30 BDEDMP C[NH2+]CCC[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000402180500 958182039 /nfs/dbraw/zinc/18/20/39/958182039.db2.gz XUHKRSAUHTYCLT-AWEZNQCLSA-N 2 1 247.342 1.133 20 30 BDEDMP C#CCCCNc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001162440373 964977911 /nfs/dbraw/zinc/97/79/11/964977911.db2.gz ZNBNIRSDJHFUCS-UHFFFAOYSA-N 2 1 244.342 1.317 20 30 BDEDMP N#Cc1ccc(CC[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235976906 966191535 /nfs/dbraw/zinc/19/15/35/966191535.db2.gz DJSZOTXJXRZISD-CABCVRRESA-N 2 1 241.338 1.524 20 30 BDEDMP N#Cc1ccc(CC[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235976906 966191544 /nfs/dbraw/zinc/19/15/44/966191544.db2.gz DJSZOTXJXRZISD-CABCVRRESA-N 2 1 241.338 1.524 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205093856 967336478 /nfs/dbraw/zinc/33/64/78/967336478.db2.gz GSTCZFWWSXZZAC-AWEZNQCLSA-N 2 1 229.327 1.871 20 30 BDEDMP C=CCCCCCCCC[N@H+]1C[C@@H](N)[C@H](O)C1 ZINC001205347223 967564694 /nfs/dbraw/zinc/56/46/94/967564694.db2.gz KTGLQSZQPHOEIF-ZIAGYGMSSA-N 2 1 240.391 1.907 20 30 BDEDMP C=C[C@@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001253605651 969301894 /nfs/dbraw/zinc/30/18/94/969301894.db2.gz VOPPQGRASHDIJK-YVECIDJPSA-N 2 1 224.348 1.138 20 30 BDEDMP C=CCCC[N@@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001209163762 969364488 /nfs/dbraw/zinc/36/44/88/969364488.db2.gz KTKMSRUAOQTTMN-CHWSQXEVSA-N 2 1 208.349 1.979 20 30 BDEDMP C#CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169080983 969404813 /nfs/dbraw/zinc/40/48/13/969404813.db2.gz OKTJXMMXYSKZBW-XYYAHUGASA-N 2 1 206.333 1.615 20 30 BDEDMP C=CC[NH+]1CCN([C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254862812 969813171 /nfs/dbraw/zinc/81/31/71/969813171.db2.gz RYTIWPKNRZMJSS-OAHLLOKOSA-N 2 1 249.402 1.274 20 30 BDEDMP SCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256066724 970632830 /nfs/dbraw/zinc/63/28/30/970632830.db2.gz OCSJTSYSGOJWQP-UHFFFAOYSA-N 2 1 200.351 1.133 20 30 BDEDMP C#C[C@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256079467 970649015 /nfs/dbraw/zinc/64/90/15/970649015.db2.gz KIECNETYLDPHEW-ZDUSSCGKSA-N 2 1 232.371 1.958 20 30 BDEDMP C#C[C@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256079467 970649024 /nfs/dbraw/zinc/64/90/24/970649024.db2.gz KIECNETYLDPHEW-ZDUSSCGKSA-N 2 1 232.371 1.958 20 30 BDEDMP C=C(C)CC[NH2+]CCNC(=O)C[N@H+](C)CCC ZINC001148639037 973877768 /nfs/dbraw/zinc/87/77/68/973877768.db2.gz YSEODXFNRWVJNY-UHFFFAOYSA-N 2 1 241.379 1.000 20 30 BDEDMP C=CCOC1CCC([N@H+]2CC[C@@H](N)C2)CC1 ZINC001173312296 975225329 /nfs/dbraw/zinc/22/53/29/975225329.db2.gz XRKBXZCUFWGBKC-PNESKVBLSA-N 2 1 224.348 1.533 20 30 BDEDMP C=CCOC1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001173312296 975225332 /nfs/dbraw/zinc/22/53/32/975225332.db2.gz XRKBXZCUFWGBKC-PNESKVBLSA-N 2 1 224.348 1.533 20 30 BDEDMP CC[N@@H+]1CC[C@H](NC(=[NH2+])c2ccc(C#N)cc2)C1 ZINC001173351430 975295279 /nfs/dbraw/zinc/29/52/79/975295279.db2.gz AZPXPYUHHOSCJW-ZDUSSCGKSA-N 2 1 242.326 1.358 20 30 BDEDMP CC[N@H+]1CC[C@H](NC(=[NH2+])c2ccc(C#N)cc2)C1 ZINC001173351430 975295284 /nfs/dbraw/zinc/29/52/84/975295284.db2.gz AZPXPYUHHOSCJW-ZDUSSCGKSA-N 2 1 242.326 1.358 20 30 BDEDMP C=C[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001335425954 977045453 /nfs/dbraw/zinc/04/54/53/977045453.db2.gz KQPRVSKCDQCJBS-ZFWWWQNUSA-N 2 1 248.370 1.643 20 30 BDEDMP C=C[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001335425954 977045469 /nfs/dbraw/zinc/04/54/69/977045469.db2.gz KQPRVSKCDQCJBS-ZFWWWQNUSA-N 2 1 248.370 1.643 20 30 BDEDMP C=CCCCCCN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234982044 978943581 /nfs/dbraw/zinc/94/35/81/978943581.db2.gz REVHAZYQWFSENK-AWEZNQCLSA-N 2 1 237.391 1.370 20 30 BDEDMP CC1(C)NC[C@@H](C[N@H+]2CCC[C@@H](CC#N)C2)O1 ZINC001235779170 979149441 /nfs/dbraw/zinc/14/94/41/979149441.db2.gz XQOYBAMANDAFMN-RYUDHWBXSA-N 2 1 237.347 1.337 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC001181827432 979322636 /nfs/dbraw/zinc/32/26/36/979322636.db2.gz LSDGSHCDHBAZIB-NEPJUHHUSA-N 2 1 210.321 1.014 20 30 BDEDMP C=CCCC[C@@H]([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC001341585711 979478951 /nfs/dbraw/zinc/47/89/51/979478951.db2.gz QBJRPPSPAKBMEH-GFCCVEGCSA-N 2 1 241.379 1.126 20 30 BDEDMP C=CCCC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205735734 982373657 /nfs/dbraw/zinc/37/36/57/982373657.db2.gz QCMOQKOQAQUIQH-JTQLQIEISA-N 2 1 218.291 1.869 20 30 BDEDMP C=C[C@](C)(O)C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC001252575118 983829545 /nfs/dbraw/zinc/82/95/45/983829545.db2.gz VKAMSEDLWCJPJX-KBPBESRZSA-N 2 1 240.391 1.778 20 30 BDEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001462671786 986504361 /nfs/dbraw/zinc/50/43/61/986504361.db2.gz SFOOHNDEIIZNBV-ZOBORPQBSA-N 2 1 235.375 1.856 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC001254671662 986722516 /nfs/dbraw/zinc/72/25/16/986722516.db2.gz SQMGMLGRDGVWOS-NDBYEHHHSA-N 2 1 219.332 1.172 20 30 BDEDMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC001254671662 986722508 /nfs/dbraw/zinc/72/25/08/986722508.db2.gz SQMGMLGRDGVWOS-NDBYEHHHSA-N 2 1 219.332 1.172 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC001254671662 986722525 /nfs/dbraw/zinc/72/25/25/986722525.db2.gz SQMGMLGRDGVWOS-NDBYEHHHSA-N 2 1 219.332 1.172 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246019466 987309825 /nfs/dbraw/zinc/30/98/25/987309825.db2.gz FKOUWPFWEXXWRQ-UONOGXRCSA-N 2 1 240.391 1.764 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001246060176 987348872 /nfs/dbraw/zinc/34/88/72/987348872.db2.gz NFJNLAFYYOOPIE-RDBSUJKOSA-N 2 1 238.375 1.387 20 30 BDEDMP C[C@@H]1CC[C@H]([NH2+]CC(C)(C)S)C[NH2+]1 ZINC001246292511 987687421 /nfs/dbraw/zinc/68/74/21/987687421.db2.gz XDGMAKIEVKZDIS-BDAKNGLRSA-N 2 1 202.367 1.425 20 30 BDEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)nc2)CC[NH2+]1 ZINC001246422400 987796068 /nfs/dbraw/zinc/79/60/68/987796068.db2.gz SUIYDPMDQFEXHO-ZYHUDNBSSA-N 2 1 230.315 1.183 20 30 BDEDMP C[C@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)C[C@H]1C[NH3+] ZINC001246539931 987904997 /nfs/dbraw/zinc/90/49/97/987904997.db2.gz IYIGQXZIOUQAJR-YFKTTZPYSA-N 2 1 207.321 1.205 20 30 BDEDMP CC[C@@H](CC#N)[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246628853 988301599 /nfs/dbraw/zinc/30/15/99/988301599.db2.gz PCNIJHHOSZNBQU-JTQLQIEISA-N 2 1 213.300 1.441 20 30 BDEDMP C#C[C@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246837921 988537054 /nfs/dbraw/zinc/53/70/54/988537054.db2.gz WZDDCYFFXDDOEU-FRRDWIJNSA-N 2 1 206.333 1.472 20 30 BDEDMP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001246836917 988538792 /nfs/dbraw/zinc/53/87/92/988538792.db2.gz ZZKOTHXSPRAYHD-UOJUARBOSA-N 2 1 219.332 1.505 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246932076 988759780 /nfs/dbraw/zinc/75/97/80/988759780.db2.gz PEGYSYFXMIJCIZ-YIYPIFLZSA-N 2 1 233.359 1.610 20 30 BDEDMP C#CCC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001308073473 995542438 /nfs/dbraw/zinc/54/24/38/995542438.db2.gz QUMGCNZCNBFXCT-UHFFFAOYSA-N 2 1 236.359 1.243 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423020027 398161177 /nfs/dbraw/zinc/16/11/77/398161177.db2.gz YKFUABDRTODMOB-QWRGUYRKSA-N 2 1 235.331 1.329 20 30 BDEDMP C[C@@H](CCC#N)C[NH2+]C1CC[NH+](C)CC1 ZINC000602502565 349561956 /nfs/dbraw/zinc/56/19/56/349561956.db2.gz LMHXLVBYMUXYKR-NSHDSACASA-N 2 1 209.337 1.610 20 30 BDEDMP N#CCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000158008970 398340831 /nfs/dbraw/zinc/34/08/31/398340831.db2.gz GHRPZACNHXDBBU-OLZOCXBDSA-N 2 1 221.348 1.897 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)c1ccccc1 ZINC000313569338 259337075 /nfs/dbraw/zinc/33/70/75/259337075.db2.gz VODDVJAVGXFKEK-HNNXBMFYSA-N 2 1 246.354 1.265 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)c1ccccc1 ZINC000313569338 259337077 /nfs/dbraw/zinc/33/70/77/259337077.db2.gz VODDVJAVGXFKEK-HNNXBMFYSA-N 2 1 246.354 1.265 20 30 BDEDMP CC[N@H+](C)C[C@@H]1CC[NH+](CC2(CC#N)CC2)C1 ZINC000602777660 349745118 /nfs/dbraw/zinc/74/51/18/349745118.db2.gz JQWKNYMZYHFDFY-ZDUSSCGKSA-N 2 1 235.375 1.954 20 30 BDEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2(CC#N)CC2)C1 ZINC000602777660 349745119 /nfs/dbraw/zinc/74/51/19/349745119.db2.gz JQWKNYMZYHFDFY-ZDUSSCGKSA-N 2 1 235.375 1.954 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602777660 349745124 /nfs/dbraw/zinc/74/51/24/349745124.db2.gz JQWKNYMZYHFDFY-ZDUSSCGKSA-N 2 1 235.375 1.954 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602777660 349745126 /nfs/dbraw/zinc/74/51/26/349745126.db2.gz JQWKNYMZYHFDFY-ZDUSSCGKSA-N 2 1 235.375 1.954 20 30 BDEDMP C=CC[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000128527700 343174902 /nfs/dbraw/zinc/17/49/02/343174902.db2.gz CZEOKSHSPGXRPJ-UHFFFAOYSA-N 2 1 216.328 1.950 20 30 BDEDMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000591580583 347677742 /nfs/dbraw/zinc/67/77/42/347677742.db2.gz AESJCGQLAKBKRH-NXEZZACHSA-N 2 1 203.289 1.556 20 30 BDEDMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591581452 347678560 /nfs/dbraw/zinc/67/85/60/347678560.db2.gz WZWJCSIFNRYKLY-QMTHXVAHSA-N 2 1 229.327 1.872 20 30 BDEDMP C[C@H]([NH3+])C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000591581575 347678909 /nfs/dbraw/zinc/67/89/09/347678909.db2.gz ZVGCNWTVKFPRLP-ZANVPECISA-N 2 1 215.300 1.482 20 30 BDEDMP N#Cc1cnccc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000592485436 347786547 /nfs/dbraw/zinc/78/65/47/347786547.db2.gz PWYOROXKJAFXPO-LBPRGKRZSA-N 2 1 244.342 1.514 20 30 BDEDMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(C#N)cc1 ZINC000401828733 348036956 /nfs/dbraw/zinc/03/69/56/348036956.db2.gz IJRASMMJEHLVMI-UHFFFAOYSA-N 2 1 240.310 1.624 20 30 BDEDMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCCC#N)C2 ZINC000595507418 348264876 /nfs/dbraw/zinc/26/48/76/348264876.db2.gz MQTARMKJKVQEJE-CYBMUJFWSA-N 2 1 221.348 1.708 20 30 BDEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCC#N)C2 ZINC000595507418 348264877 /nfs/dbraw/zinc/26/48/77/348264877.db2.gz MQTARMKJKVQEJE-CYBMUJFWSA-N 2 1 221.348 1.708 20 30 BDEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCC#N)C2 ZINC000595507418 348264879 /nfs/dbraw/zinc/26/48/79/348264879.db2.gz MQTARMKJKVQEJE-CYBMUJFWSA-N 2 1 221.348 1.708 20 30 BDEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCC#N)C2 ZINC000595507418 348264882 /nfs/dbraw/zinc/26/48/82/348264882.db2.gz MQTARMKJKVQEJE-CYBMUJFWSA-N 2 1 221.348 1.708 20 30 BDEDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C#N)o1 ZINC000266206855 180243478 /nfs/dbraw/zinc/24/34/78/180243478.db2.gz NATVNJREVOHWIG-UHFFFAOYSA-N 2 1 244.298 1.836 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(C#N)cs1 ZINC000336713876 180260543 /nfs/dbraw/zinc/26/05/43/180260543.db2.gz RPAMGWDVXMUDLP-UHFFFAOYSA-N 2 1 246.339 1.915 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C#N)s1 ZINC000267152867 180260961 /nfs/dbraw/zinc/26/09/61/180260961.db2.gz CVHQVWBRDGROJP-UHFFFAOYSA-N 2 1 246.339 1.915 20 30 BDEDMP C[C@H](c1cccc(C#N)c1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090320364 363039590 /nfs/dbraw/zinc/03/95/90/363039590.db2.gz MQBKTLTURHAKHE-KCPJHIHWSA-N 2 1 241.338 1.770 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000278658196 351775570 /nfs/dbraw/zinc/77/55/70/351775570.db2.gz IOELMOJBRCXSBI-STQMWFEESA-N 2 1 232.331 1.864 20 30 BDEDMP C#CC(C)(C)[N@H+](C)CCn1cc[nH+]c1C ZINC000285591497 352052194 /nfs/dbraw/zinc/05/21/94/352052194.db2.gz BKXRBIWUYNSGHQ-UHFFFAOYSA-N 2 1 205.305 1.535 20 30 BDEDMP C#CC(C)(C)[N@@H+](C)CCn1cc[nH+]c1C ZINC000285591497 352052199 /nfs/dbraw/zinc/05/21/99/352052199.db2.gz BKXRBIWUYNSGHQ-UHFFFAOYSA-N 2 1 205.305 1.535 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000130973555 353362107 /nfs/dbraw/zinc/36/21/07/353362107.db2.gz WFGZFNKEIFGANT-BFHYXJOUSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000130973555 353362110 /nfs/dbraw/zinc/36/21/10/353362110.db2.gz WFGZFNKEIFGANT-BFHYXJOUSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000130973555 353362114 /nfs/dbraw/zinc/36/21/14/353362114.db2.gz WFGZFNKEIFGANT-BFHYXJOUSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000130973555 353362115 /nfs/dbraw/zinc/36/21/15/353362115.db2.gz WFGZFNKEIFGANT-BFHYXJOUSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000130973555 353362117 /nfs/dbraw/zinc/36/21/17/353362117.db2.gz WFGZFNKEIFGANT-BFHYXJOUSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]C[C@H]2CCC=CO2)CC1 ZINC000194383833 353650774 /nfs/dbraw/zinc/65/07/74/353650774.db2.gz FAJYHMOUTSGBKO-CQSZACIVSA-N 2 1 236.359 1.919 20 30 BDEDMP CC[N@@H+](C)C[C@H]1CCN(CC2(C#N)CC2)C1 ZINC000343318594 353667134 /nfs/dbraw/zinc/66/71/34/353667134.db2.gz YJXIYXGJAHNZFB-GFCCVEGCSA-N 2 1 221.348 1.564 20 30 BDEDMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000379428782 358484021 /nfs/dbraw/zinc/48/40/21/358484021.db2.gz DBVPOGOXEVIYNR-GHMZBOCLSA-N 2 1 218.304 1.244 20 30 BDEDMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000335840749 355585119 /nfs/dbraw/zinc/58/51/19/355585119.db2.gz YDHGMCJSDAQFOM-KGLIPLIRSA-N 2 1 233.359 1.920 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423156462 192594590 /nfs/dbraw/zinc/59/45/90/192594590.db2.gz SLTAEPRBFGBVMM-LOWDOPEQSA-N 2 1 224.348 1.450 20 30 BDEDMP CC#CCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368315308 134218062 /nfs/dbraw/zinc/21/80/62/134218062.db2.gz HWICAAIPHZCTOK-ZDUSSCGKSA-N 2 1 206.333 1.427 20 30 BDEDMP CC#CCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368315308 134218063 /nfs/dbraw/zinc/21/80/63/134218063.db2.gz HWICAAIPHZCTOK-ZDUSSCGKSA-N 2 1 206.333 1.427 20 30 BDEDMP CC#CCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368315308 134218064 /nfs/dbraw/zinc/21/80/64/134218064.db2.gz HWICAAIPHZCTOK-ZDUSSCGKSA-N 2 1 206.333 1.427 20 30 BDEDMP C#CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000371185436 134227444 /nfs/dbraw/zinc/22/74/44/134227444.db2.gz SCDGCHSWDJHZQB-HIFRSBDPSA-N 2 1 232.371 1.958 20 30 BDEDMP C#CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000371185436 134227445 /nfs/dbraw/zinc/22/74/45/134227445.db2.gz SCDGCHSWDJHZQB-HIFRSBDPSA-N 2 1 232.371 1.958 20 30 BDEDMP C#CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000371185436 134227446 /nfs/dbraw/zinc/22/74/46/134227446.db2.gz SCDGCHSWDJHZQB-HIFRSBDPSA-N 2 1 232.371 1.958 20 30 BDEDMP C[C@]1(C#N)CCC[N@H+](CCn2ccnc2)C1 ZINC000612167290 359714987 /nfs/dbraw/zinc/71/49/87/359714987.db2.gz KQTQQUWHODXJRU-GFCCVEGCSA-N 2 1 218.304 1.509 20 30 BDEDMP C[C@]1(C#N)CCC[N@@H+](CCn2ccnc2)C1 ZINC000612167290 359714991 /nfs/dbraw/zinc/71/49/91/359714991.db2.gz KQTQQUWHODXJRU-GFCCVEGCSA-N 2 1 218.304 1.509 20 30 BDEDMP C=CC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559772 361455567 /nfs/dbraw/zinc/45/55/67/361455567.db2.gz BVXXDKJMRWDDAG-IUCAKERBSA-N 2 1 222.254 1.632 20 30 BDEDMP C=CC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559772 361455571 /nfs/dbraw/zinc/45/55/71/361455571.db2.gz BVXXDKJMRWDDAG-IUCAKERBSA-N 2 1 222.254 1.632 20 30 BDEDMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](C#N)CCC#N ZINC000579701202 366982925 /nfs/dbraw/zinc/98/29/25/366982925.db2.gz ZDQSSDFFYQQNKL-CYBMUJFWSA-N 2 1 245.330 1.615 20 30 BDEDMP C=C[C@H]1CCCCN1C[C@H](O)C[N@H+](C)CC ZINC000566412110 326040900 /nfs/dbraw/zinc/04/09/00/326040900.db2.gz BZPOLOWFWHDQCP-QWHCGFSZSA-N 2 1 226.364 1.340 20 30 BDEDMP C=C[C@H]1CCCC[N@H+]1C[C@H](O)CN(C)CC ZINC000566412110 326040902 /nfs/dbraw/zinc/04/09/02/326040902.db2.gz BZPOLOWFWHDQCP-QWHCGFSZSA-N 2 1 226.364 1.340 20 30 BDEDMP C=C[C@H]1CCCC[N@@H+]1C[C@H](O)CN(C)CC ZINC000566412110 326040905 /nfs/dbraw/zinc/04/09/05/326040905.db2.gz BZPOLOWFWHDQCP-QWHCGFSZSA-N 2 1 226.364 1.340 20 30 BDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000251753281 369941327 /nfs/dbraw/zinc/94/13/27/369941327.db2.gz LKONZAXDIDVDQX-BXUZGUMPSA-N 2 1 229.327 1.727 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000251753281 369941330 /nfs/dbraw/zinc/94/13/30/369941330.db2.gz LKONZAXDIDVDQX-BXUZGUMPSA-N 2 1 229.327 1.727 20 30 BDEDMP C#CCCC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000375213603 533036083 /nfs/dbraw/zinc/03/60/83/533036083.db2.gz AATWDMVCMCFCEL-OLZOCXBDSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000375213603 533036088 /nfs/dbraw/zinc/03/60/88/533036088.db2.gz AATWDMVCMCFCEL-OLZOCXBDSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000375213603 533036094 /nfs/dbraw/zinc/03/60/94/533036094.db2.gz AATWDMVCMCFCEL-OLZOCXBDSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000375213603 533036097 /nfs/dbraw/zinc/03/60/97/533036097.db2.gz AATWDMVCMCFCEL-OLZOCXBDSA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000368580567 533053930 /nfs/dbraw/zinc/05/39/30/533053930.db2.gz NTXSXKPQPIAJOA-HNNXBMFYSA-N 2 1 249.402 1.112 20 30 BDEDMP C#CC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000374313539 533152561 /nfs/dbraw/zinc/15/25/61/533152561.db2.gz AQKGTMCVSQWDAY-ZDUSSCGKSA-N 2 1 232.371 1.816 20 30 BDEDMP C=CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334453975 386102684 /nfs/dbraw/zinc/10/26/84/386102684.db2.gz MOBWLXXSDZLVBS-UONOGXRCSA-N 2 1 237.391 1.130 20 30 BDEDMP C#CC[NH+](C)CCCCC[N@H+](C)CC#C ZINC000276959326 386394532 /nfs/dbraw/zinc/39/45/32/386394532.db2.gz LXCSJCXRYAWKHT-UHFFFAOYSA-N 2 1 206.333 1.287 20 30 BDEDMP C=CCN(CC=C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000647958147 386702652 /nfs/dbraw/zinc/70/26/52/386702652.db2.gz AXZZQZJRELOTEZ-ZDUSSCGKSA-N 2 1 226.364 1.362 20 30 BDEDMP C=CC[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248520030 387137840 /nfs/dbraw/zinc/13/78/40/387137840.db2.gz QUZDAUZSRJGQMZ-XQQFMLRXSA-N 2 1 224.348 1.140 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC(OC)CC1 ZINC000328039075 387728712 /nfs/dbraw/zinc/72/87/12/387728712.db2.gz WYOGDSQHWSHWDF-UHFFFAOYSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC(OC)CC1 ZINC000328039075 387728718 /nfs/dbraw/zinc/72/87/18/387728718.db2.gz WYOGDSQHWSHWDF-UHFFFAOYSA-N 2 1 238.375 1.489 20 30 BDEDMP C=C(C)CN1CCC([NH2+][C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422983486 387793677 /nfs/dbraw/zinc/79/36/77/387793677.db2.gz ZRPVBJJKPPROGP-CHWSQXEVSA-N 2 1 239.407 1.742 20 30 BDEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423092575 387883350 /nfs/dbraw/zinc/88/33/50/387883350.db2.gz CKQZXOPYFOMGLY-CRWXNKLISA-N 2 1 238.375 1.555 20 30 BDEDMP CC[C@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCC[NH2+]1 ZINC000423096759 387886853 /nfs/dbraw/zinc/88/68/53/387886853.db2.gz PTGFNHODMIGAAP-RYUDHWBXSA-N 2 1 221.348 1.800 20 30 BDEDMP C[C@@H]([NH2+]CC(C)(C)CC#N)[C@H]1CCC[NH2+]1 ZINC000423169679 387954639 /nfs/dbraw/zinc/95/46/39/387954639.db2.gz KBEDXNVHVUSJAA-GHMZBOCLSA-N 2 1 209.337 1.656 20 30 BDEDMP C[C@H]1C[C@H]([NH2+]CCCCC#N)CC[N@H+]1C ZINC000156231004 387943301 /nfs/dbraw/zinc/94/33/01/387943301.db2.gz LIWALUVNSIVAMF-NWDGAFQWSA-N 2 1 209.337 1.753 20 30 BDEDMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000172197068 388408400 /nfs/dbraw/zinc/40/84/00/388408400.db2.gz UNQXRECCDUPZHV-HNNXBMFYSA-N 2 1 243.354 1.942 20 30 BDEDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000172197068 388408403 /nfs/dbraw/zinc/40/84/03/388408403.db2.gz UNQXRECCDUPZHV-HNNXBMFYSA-N 2 1 243.354 1.942 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C(C)(C)C ZINC000393414984 388429440 /nfs/dbraw/zinc/42/94/40/388429440.db2.gz DVACNSVFRVNFGZ-GFCCVEGCSA-N 2 1 210.365 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C(C)(C)C ZINC000393414984 388429443 /nfs/dbraw/zinc/42/94/43/388429443.db2.gz DVACNSVFRVNFGZ-GFCCVEGCSA-N 2 1 210.365 1.966 20 30 BDEDMP C#CC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000178264443 388497036 /nfs/dbraw/zinc/49/70/36/388497036.db2.gz ZMGBQLNWOFSBKN-ZIAGYGMSSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000178264443 388497038 /nfs/dbraw/zinc/49/70/38/388497038.db2.gz ZMGBQLNWOFSBKN-ZIAGYGMSSA-N 2 1 238.375 1.346 20 30 BDEDMP COc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])ccc1C#N ZINC000415004670 388667195 /nfs/dbraw/zinc/66/71/95/388667195.db2.gz AALPRNKNNXTWGV-VHSXEESVSA-N 2 1 233.315 1.392 20 30 BDEDMP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248520027 388683094 /nfs/dbraw/zinc/68/30/94/388683094.db2.gz QUZDAUZSRJGQMZ-UPJWGTAASA-N 2 1 224.348 1.140 20 30 BDEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]([NH3+])C1CC1)CC2 ZINC000423336698 388691549 /nfs/dbraw/zinc/69/15/49/388691549.db2.gz XZKKIIWBJUODFN-LSDHHAIUSA-N 2 1 241.338 1.872 20 30 BDEDMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(C#N)cc1 ZINC000423432419 388692845 /nfs/dbraw/zinc/69/28/45/388692845.db2.gz MIXWSTVIHURTCQ-OLRMPSLUSA-N 2 1 227.311 1.427 20 30 BDEDMP C#C[C@H](CC)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000229895752 388802781 /nfs/dbraw/zinc/80/27/81/388802781.db2.gz KFRRBTMIZYJIOS-GFCCVEGCSA-N 2 1 208.349 1.861 20 30 BDEDMP C#CCC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371198592 134228064 /nfs/dbraw/zinc/22/80/64/134228064.db2.gz OEKIUARXXFQPNB-HNNXBMFYSA-N 2 1 249.402 1.110 20 30 BDEDMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000338021365 135028265 /nfs/dbraw/zinc/02/82/65/135028265.db2.gz TUNDAVWGKFZWJV-STQMWFEESA-N 2 1 232.331 1.864 20 30 BDEDMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CC[C@H](C#N)C3)C2)C1 ZINC000339211203 135066777 /nfs/dbraw/zinc/06/67/77/135066777.db2.gz FZNZLXIFWWRCKP-IHRRRGAJSA-N 2 1 233.359 1.706 20 30 BDEDMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CC[C@H](C#N)C3)C2)C1 ZINC000339211203 135066779 /nfs/dbraw/zinc/06/67/79/135066779.db2.gz FZNZLXIFWWRCKP-IHRRRGAJSA-N 2 1 233.359 1.706 20 30 BDEDMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)C1 ZINC000339211203 135066780 /nfs/dbraw/zinc/06/67/80/135066780.db2.gz FZNZLXIFWWRCKP-IHRRRGAJSA-N 2 1 233.359 1.706 20 30 BDEDMP C[N@@H+]1CC=C(CNC(=[NH2+])Nc2ccccn2)CC1 ZINC000263159346 135125431 /nfs/dbraw/zinc/12/54/31/135125431.db2.gz OLXIHOMSGWOLQK-UHFFFAOYSA-N 2 1 245.330 1.070 20 30 BDEDMP C=CCNC(=[NH2+])NCCCCn1cc[nH+]c1C ZINC000267393865 135154059 /nfs/dbraw/zinc/15/40/59/135154059.db2.gz DNVHCHSNNUSOSE-UHFFFAOYSA-N 2 1 235.335 1.062 20 30 BDEDMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000261540743 135179883 /nfs/dbraw/zinc/17/98/83/135179883.db2.gz ALFCVTVDBRSZPR-CQSZACIVSA-N 2 1 229.327 1.729 20 30 BDEDMP [NH2+]=C(NCC[N@H+]1CC=CCC1)NC1CCCC1 ZINC000262417100 135295973 /nfs/dbraw/zinc/29/59/73/135295973.db2.gz UHVNSCHNXDKUKG-UHFFFAOYSA-N 2 1 236.363 1.095 20 30 BDEDMP [NH2+]=C(NCC[N@@H+]1CC=CCC1)NC1CCCC1 ZINC000262417100 135295975 /nfs/dbraw/zinc/29/59/75/135295975.db2.gz UHVNSCHNXDKUKG-UHFFFAOYSA-N 2 1 236.363 1.095 20 30 BDEDMP C[C@@H](CNC1=[NH+]CCN1C)[N@H+]1CCCC[C@H]1C ZINC000262634682 135310452 /nfs/dbraw/zinc/31/04/52/135310452.db2.gz GMSHOJZENAQUIZ-NEPJUHHUSA-N 2 1 238.379 1.140 20 30 BDEDMP C=CCOCCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000348039095 136028510 /nfs/dbraw/zinc/02/85/10/136028510.db2.gz UJQSPMUMCPLHPA-CYBMUJFWSA-N 2 1 226.364 1.463 20 30 BDEDMP C=CCOCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000643479483 398108869 /nfs/dbraw/zinc/10/88/69/398108869.db2.gz CWYAHBHSCRWNMG-ZFWWWQNUSA-N 2 1 248.370 1.737 20 30 BDEDMP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)C[NH+](C)C ZINC000291756691 398103821 /nfs/dbraw/zinc/10/38/21/398103821.db2.gz QWLNDMUGWLXQKF-GFCCVEGCSA-N 2 1 231.343 1.846 20 30 BDEDMP C=CC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345568 411209316 /nfs/dbraw/zinc/20/93/16/411209316.db2.gz GBHPYJUEAVGVKT-AVGNSLFASA-N 2 1 224.348 1.391 20 30 BDEDMP C(#CC[N@H+]1CC[C@@H]2C[C@@H]2C1)C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000661967163 411923976 /nfs/dbraw/zinc/92/39/76/411923976.db2.gz CDDTUSLXIKAALI-KLHDSHLOSA-N 2 1 244.382 1.673 20 30 BDEDMP C=CC[NH+](C[C@H](O)C[N@@H+](C)CC)C(C)(C)C ZINC000661759188 411870570 /nfs/dbraw/zinc/87/05/70/411870570.db2.gz CWGNUHYJQJGOGI-GFCCVEGCSA-N 2 1 228.380 1.586 20 30 BDEDMP C=CC[NH+](C[C@H](O)C[N@H+](C)CC)C(C)(C)C ZINC000661759188 411870572 /nfs/dbraw/zinc/87/05/72/411870572.db2.gz CWGNUHYJQJGOGI-GFCCVEGCSA-N 2 1 228.380 1.586 20 30 BDEDMP C=CC[N@@H+](C[C@H](O)C[NH+](C)CC)C(C)(C)C ZINC000661759188 411870575 /nfs/dbraw/zinc/87/05/75/411870575.db2.gz CWGNUHYJQJGOGI-GFCCVEGCSA-N 2 1 228.380 1.586 20 30 BDEDMP C=CC[N@H+](C[C@H](O)C[NH+](C)CC)C(C)(C)C ZINC000661759188 411870578 /nfs/dbraw/zinc/87/05/78/411870578.db2.gz CWGNUHYJQJGOGI-GFCCVEGCSA-N 2 1 228.380 1.586 20 30 BDEDMP C=CC[N@@H+](CC1CC[NH2+]CC1)[C@H](C)COC ZINC000662218135 412030181 /nfs/dbraw/zinc/03/01/81/412030181.db2.gz VIESCMFEHREOCA-GFCCVEGCSA-N 2 1 226.364 1.509 20 30 BDEDMP COCC#CCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000671725019 487706742 /nfs/dbraw/zinc/70/67/42/487706742.db2.gz IABQSEWXNDEHDK-PBWFPOADSA-N 2 1 236.359 1.193 20 30 BDEDMP C=CCC[C@@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000321026737 323374804 /nfs/dbraw/zinc/37/48/04/323374804.db2.gz PKRVOLZMYCDZPP-ZDUSSCGKSA-N 2 1 238.375 1.530 20 30 BDEDMP C#CC[N@H+](C)CCCN[C@@H](C)c1nccn1C ZINC000328211184 324240403 /nfs/dbraw/zinc/24/04/03/324240403.db2.gz WMRUJMBLYWWDJW-LBPRGKRZSA-N 2 1 234.347 1.026 20 30 BDEDMP C=C[C@@H]1CCCCN1C[C@H](O)C[N@H+](C)CC ZINC000566412108 326041112 /nfs/dbraw/zinc/04/11/12/326041112.db2.gz BZPOLOWFWHDQCP-CHWSQXEVSA-N 2 1 226.364 1.340 20 30 BDEDMP C=C[C@@H]1CCCC[N@H+]1C[C@H](O)CN(C)CC ZINC000566412108 326041115 /nfs/dbraw/zinc/04/11/15/326041115.db2.gz BZPOLOWFWHDQCP-CHWSQXEVSA-N 2 1 226.364 1.340 20 30 BDEDMP C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)CN(C)CC ZINC000566412108 326041120 /nfs/dbraw/zinc/04/11/20/326041120.db2.gz BZPOLOWFWHDQCP-CHWSQXEVSA-N 2 1 226.364 1.340 20 30 BDEDMP C=CCC(C)(C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310479678 326193892 /nfs/dbraw/zinc/19/38/92/326193892.db2.gz LCLNGVRWIDLCEH-CYBMUJFWSA-N 2 1 240.391 1.633 20 30 BDEDMP C=CCC(C)(C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310479678 326193894 /nfs/dbraw/zinc/19/38/94/326193894.db2.gz LCLNGVRWIDLCEH-CYBMUJFWSA-N 2 1 240.391 1.633 20 30 BDEDMP C=CC[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367618337 534816522 /nfs/dbraw/zinc/81/65/22/534816522.db2.gz OVLJHUDCPYKALP-CQSZACIVSA-N 2 1 237.391 1.273 20 30 BDEDMP C=CCOCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000339004226 534879365 /nfs/dbraw/zinc/87/93/65/534879365.db2.gz RTCUDBQJMJXLFL-AWEZNQCLSA-N 2 1 238.375 1.607 20 30 BDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[C@@H]1C ZINC000261992379 535548678 /nfs/dbraw/zinc/54/86/78/535548678.db2.gz MNOIFRNELUKORE-QJPTWQEYSA-N 2 1 238.379 1.031 20 30 BDEDMP C#C[C@@H]([NH2+]CCCn1cc[nH+]c1C)[C@@H]1CCCO1 ZINC000775792677 583104465 /nfs/dbraw/zinc/10/44/65/583104465.db2.gz SMFUWTQYXZZTLG-KGLIPLIRSA-N 2 1 247.342 1.352 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@](C)(OC)C1CC1 ZINC000894863569 583536300 /nfs/dbraw/zinc/53/63/00/583536300.db2.gz IOXWQBSBAZZXTN-CQSZACIVSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@](C)(OC)C1CC1 ZINC000894863569 583536302 /nfs/dbraw/zinc/53/63/02/583536302.db2.gz IOXWQBSBAZZXTN-CQSZACIVSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CCC1(O)CCN(Cc2cnc(C)n2C)CC1 ZINC000895671153 583706085 /nfs/dbraw/zinc/70/60/85/583706085.db2.gz RCAFLSZZOHPNML-UHFFFAOYSA-N 2 1 247.342 1.079 20 30 BDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000203027690 583962280 /nfs/dbraw/zinc/96/22/80/583962280.db2.gz BSBXNJPPUNTWFM-ZDUSSCGKSA-N 2 1 246.358 1.898 20 30 BDEDMP N#CC1CCC(C[N@@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000903421294 584763959 /nfs/dbraw/zinc/76/39/59/584763959.db2.gz KRCXOMQKPQNMHP-JXQTWKCFSA-N 2 1 235.375 1.987 20 30 BDEDMP N#CC1CCC(C[N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000903423027 584764527 /nfs/dbraw/zinc/76/45/27/584764527.db2.gz NJSYUOZLYRAAPS-MCIGGMRASA-N 2 1 207.321 1.349 20 30 BDEDMP N#CC1CCC(C[N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000903423027 584764528 /nfs/dbraw/zinc/76/45/28/584764528.db2.gz NJSYUOZLYRAAPS-MCIGGMRASA-N 2 1 207.321 1.349 20 30 BDEDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903447432 584770746 /nfs/dbraw/zinc/77/07/46/584770746.db2.gz RZBMMXSNERRWEF-BLYZHGLHSA-N 2 1 235.375 1.985 20 30 BDEDMP N#CC1CCC(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000903450206 584772307 /nfs/dbraw/zinc/77/23/07/584772307.db2.gz PQNACVDWCSNOLW-LLZFXZEUSA-N 2 1 233.359 1.468 20 30 BDEDMP N#CC1CCC(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000903453538 584772927 /nfs/dbraw/zinc/77/29/27/584772927.db2.gz ASXKEBVZZUHFGG-PQAZSJQKSA-N 2 1 233.359 1.610 20 30 BDEDMP N#CC1CCC(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000903453538 584772929 /nfs/dbraw/zinc/77/29/29/584772929.db2.gz ASXKEBVZZUHFGG-PQAZSJQKSA-N 2 1 233.359 1.610 20 30 BDEDMP C=CCCC[N@H+](CC)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000903850691 584808206 /nfs/dbraw/zinc/80/82/06/584808206.db2.gz XLEPXEKIWOGVPI-SRVKXCTJSA-N 2 1 212.337 1.125 20 30 BDEDMP C#CCC[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000760842712 585399273 /nfs/dbraw/zinc/39/92/73/585399273.db2.gz ILPUXNBIQGDZKI-CQSZACIVSA-N 2 1 238.375 1.442 20 30 BDEDMP C#CCOCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000761107800 585409804 /nfs/dbraw/zinc/40/98/04/585409804.db2.gz IAPUUJYPWFASDA-CQSZACIVSA-N 2 1 238.375 1.442 20 30 BDEDMP C#CCOCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000761107800 585409805 /nfs/dbraw/zinc/40/98/05/585409805.db2.gz IAPUUJYPWFASDA-CQSZACIVSA-N 2 1 238.375 1.442 20 30 BDEDMP C#CCOCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000761107800 585409806 /nfs/dbraw/zinc/40/98/06/585409806.db2.gz IAPUUJYPWFASDA-CQSZACIVSA-N 2 1 238.375 1.442 20 30 BDEDMP C#CCOCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000761107800 585409807 /nfs/dbraw/zinc/40/98/07/585409807.db2.gz IAPUUJYPWFASDA-CQSZACIVSA-N 2 1 238.375 1.442 20 30 BDEDMP CC[N@H+](C)C[C@@H]1CC[NH+](CCO[C@H](C)C#N)C1 ZINC000801924811 586277882 /nfs/dbraw/zinc/27/78/82/586277882.db2.gz VJWZPFHEULKCBH-OLZOCXBDSA-N 2 1 239.363 1.189 20 30 BDEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCO[C@H](C)C#N)C1 ZINC000801924811 586277884 /nfs/dbraw/zinc/27/78/84/586277884.db2.gz VJWZPFHEULKCBH-OLZOCXBDSA-N 2 1 239.363 1.189 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000801924811 586277885 /nfs/dbraw/zinc/27/78/85/586277885.db2.gz VJWZPFHEULKCBH-OLZOCXBDSA-N 2 1 239.363 1.189 20 30 BDEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCO[C@H](C)C#N)C1 ZINC000801924811 586277887 /nfs/dbraw/zinc/27/78/87/586277887.db2.gz VJWZPFHEULKCBH-OLZOCXBDSA-N 2 1 239.363 1.189 20 30 BDEDMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817972209 586859140 /nfs/dbraw/zinc/85/91/40/586859140.db2.gz KCWKHYLKAKKGLJ-MNOVXSKESA-N 2 1 233.315 1.587 20 30 BDEDMP CCC[N@H+]1CCC[C@H]1CNC(NC1CC1)=[NH+]C ZINC000849027744 588441461 /nfs/dbraw/zinc/44/14/61/588441461.db2.gz JYWCVOWJCJZTEE-LBPRGKRZSA-N 2 1 238.379 1.188 20 30 BDEDMP CCNC(NCCC[N@@H+](C)CC(C)C)=[NH+]CC ZINC000849046560 588450226 /nfs/dbraw/zinc/45/02/26/588450226.db2.gz ITKWSZYGKGMIOH-UHFFFAOYSA-N 2 1 242.411 1.539 20 30 BDEDMP C[NH+]=C(NCCC[N@@H+](C)CC(C)C)NC1CC1 ZINC000849047236 588450520 /nfs/dbraw/zinc/45/05/20/588450520.db2.gz RNSUXTXSPBNQBI-UHFFFAOYSA-N 2 1 240.395 1.292 20 30 BDEDMP C#CCOCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000851796397 588629746 /nfs/dbraw/zinc/62/97/46/588629746.db2.gz DBVRWOIKFOZYGN-UONOGXRCSA-N 2 1 238.375 1.441 20 30 BDEDMP C#CCOCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000851796397 588629747 /nfs/dbraw/zinc/62/97/47/588629747.db2.gz DBVRWOIKFOZYGN-UONOGXRCSA-N 2 1 238.375 1.441 20 30 BDEDMP C#CCOCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000851796397 588629748 /nfs/dbraw/zinc/62/97/48/588629748.db2.gz DBVRWOIKFOZYGN-UONOGXRCSA-N 2 1 238.375 1.441 20 30 BDEDMP C#CC(C)(C)N(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000851986272 588651848 /nfs/dbraw/zinc/65/18/48/588651848.db2.gz GXCJKKHGHWFKCQ-LBPRGKRZSA-N 2 1 226.364 1.031 20 30 BDEDMP CCNC(=[NH2+])NCCC[N@H+]1CCCC[C@H]1C ZINC000203018121 589208753 /nfs/dbraw/zinc/20/87/53/589208753.db2.gz ZBTHHMUQMRAMTN-LLVKDONJSA-N 2 1 226.368 1.175 20 30 BDEDMP C#C[C@@H](CC)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877513216 590341637 /nfs/dbraw/zinc/34/16/37/590341637.db2.gz OGCSBIJYSKDSTH-LBPRGKRZSA-N 2 1 238.375 1.223 20 30 BDEDMP C=CC[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878865857 590634083 /nfs/dbraw/zinc/63/40/83/590634083.db2.gz OKMAEZSWLSINDF-CHWSQXEVSA-N 2 1 226.364 1.340 20 30 BDEDMP C=CC[C@@H](C)[N@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000878865857 590634081 /nfs/dbraw/zinc/63/40/81/590634081.db2.gz OKMAEZSWLSINDF-CHWSQXEVSA-N 2 1 226.364 1.340 20 30 BDEDMP C=CC[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878865857 590634082 /nfs/dbraw/zinc/63/40/82/590634082.db2.gz OKMAEZSWLSINDF-CHWSQXEVSA-N 2 1 226.364 1.340 20 30 BDEDMP C#CCOCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878863806 590634918 /nfs/dbraw/zinc/63/49/18/590634918.db2.gz GOUYTBDWQOUZIK-UHFFFAOYSA-N 2 1 236.359 1.054 20 30 BDEDMP C=C(C)C[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879121926 590698916 /nfs/dbraw/zinc/69/89/16/590698916.db2.gz HXJQQWRUEGQMSI-UHFFFAOYSA-N 2 1 240.391 1.853 20 30 BDEDMP C#CCC[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879125464 590699197 /nfs/dbraw/zinc/69/91/97/590699197.db2.gz BQRTXTNNZJBXIA-UHFFFAOYSA-N 2 1 238.375 1.300 20 30 BDEDMP C[N@@H+]1CC[C@H]2C[NH+](CCCCC#N)CC[C@H]21 ZINC000879571342 590806103 /nfs/dbraw/zinc/80/61/03/590806103.db2.gz PPZKMARMEWYZKD-QWHCGFSZSA-N 2 1 221.348 1.706 20 30 BDEDMP C[N@H+]1CC[C@H]2C[NH+](CCCCC#N)CC[C@H]21 ZINC000879571342 590806106 /nfs/dbraw/zinc/80/61/06/590806106.db2.gz PPZKMARMEWYZKD-QWHCGFSZSA-N 2 1 221.348 1.706 20 30 BDEDMP C[NH+]1CC[C@H]2C[N@H+](CCCCC#N)CC[C@H]21 ZINC000879571342 590806110 /nfs/dbraw/zinc/80/61/10/590806110.db2.gz PPZKMARMEWYZKD-QWHCGFSZSA-N 2 1 221.348 1.706 20 30 BDEDMP C[NH+]1CC[C@H]2C[N@@H+](CCCCC#N)CC[C@H]21 ZINC000879571342 590806113 /nfs/dbraw/zinc/80/61/13/590806113.db2.gz PPZKMARMEWYZKD-QWHCGFSZSA-N 2 1 221.348 1.706 20 30 BDEDMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(C)(C)C#N)CC[C@@H]21 ZINC000879577452 590813498 /nfs/dbraw/zinc/81/34/98/590813498.db2.gz IULWCRQJLHICHZ-OLZOCXBDSA-N 2 1 235.375 1.952 20 30 BDEDMP C[N@H+]1CC[C@@H]2C[NH+](CCC(C)(C)C#N)CC[C@@H]21 ZINC000879577452 590813499 /nfs/dbraw/zinc/81/34/99/590813499.db2.gz IULWCRQJLHICHZ-OLZOCXBDSA-N 2 1 235.375 1.952 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@H+](CCC(C)(C)C#N)CC[C@@H]21 ZINC000879577452 590813501 /nfs/dbraw/zinc/81/35/01/590813501.db2.gz IULWCRQJLHICHZ-OLZOCXBDSA-N 2 1 235.375 1.952 20 30 BDEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(C)(C)C#N)CC[C@@H]21 ZINC000879577452 590813503 /nfs/dbraw/zinc/81/35/03/590813503.db2.gz IULWCRQJLHICHZ-OLZOCXBDSA-N 2 1 235.375 1.952 20 30 BDEDMP C=C(CC)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579819 590818047 /nfs/dbraw/zinc/81/80/47/590818047.db2.gz BULDRENVJFZGPU-STQMWFEESA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(CC)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579819 590818050 /nfs/dbraw/zinc/81/80/50/590818050.db2.gz BULDRENVJFZGPU-STQMWFEESA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(CC)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579819 590818054 /nfs/dbraw/zinc/81/80/54/590818054.db2.gz BULDRENVJFZGPU-STQMWFEESA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(CC)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579819 590818056 /nfs/dbraw/zinc/81/80/56/590818056.db2.gz BULDRENVJFZGPU-STQMWFEESA-N 2 1 208.349 1.979 20 30 BDEDMP C#CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]c(CO)c2)C1 ZINC000884610961 591993850 /nfs/dbraw/zinc/99/38/50/591993850.db2.gz ZJUQXHWJPNDION-CYBMUJFWSA-N 2 1 245.326 1.083 20 30 BDEDMP C#CCC1([NH2+]CCn2cc[nH+]c2C)CCOCC1 ZINC000887122435 592446720 /nfs/dbraw/zinc/44/67/20/592446720.db2.gz XZRSYWDWVRVCAY-UHFFFAOYSA-N 2 1 247.342 1.354 20 30 BDEDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCCC#N ZINC000887131268 592448643 /nfs/dbraw/zinc/44/86/43/592448643.db2.gz UOTFSMLNLNLYGQ-CYBMUJFWSA-N 2 1 244.342 1.896 20 30 BDEDMP C#C[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000934514516 631895078 /nfs/dbraw/zinc/89/50/78/631895078.db2.gz IMTKSNLMGZBGDE-ZIAGYGMSSA-N 2 1 220.360 1.958 20 30 BDEDMP C#C[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000934514516 631895083 /nfs/dbraw/zinc/89/50/83/631895083.db2.gz IMTKSNLMGZBGDE-ZIAGYGMSSA-N 2 1 220.360 1.958 20 30 BDEDMP C#C[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000934514516 631895086 /nfs/dbraw/zinc/89/50/86/631895086.db2.gz IMTKSNLMGZBGDE-ZIAGYGMSSA-N 2 1 220.360 1.958 20 30 BDEDMP C#C[C@@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000934514516 631895092 /nfs/dbraw/zinc/89/50/92/631895092.db2.gz IMTKSNLMGZBGDE-ZIAGYGMSSA-N 2 1 220.360 1.958 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2COC[C@H]2C)CC1 ZINC000924987405 635826232 /nfs/dbraw/zinc/82/62/32/635826232.db2.gz QGZUFYPANNETGT-OCCSQVGLSA-N 2 1 238.375 1.651 20 30 BDEDMP C#CCCC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000178055183 632935530 /nfs/dbraw/zinc/93/55/30/632935530.db2.gz LMDYZYMCBOPNDU-OLZOCXBDSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H]1CC=CCC1 ZINC000327981311 633199067 /nfs/dbraw/zinc/19/90/67/633199067.db2.gz ACUKYDOBRHQKKX-AWEZNQCLSA-N 2 1 220.360 1.887 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H]1CC=CCC1 ZINC000327981311 633199070 /nfs/dbraw/zinc/19/90/70/633199070.db2.gz ACUKYDOBRHQKKX-AWEZNQCLSA-N 2 1 220.360 1.887 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@]1(C)CCCS1 ZINC000328018899 633213516 /nfs/dbraw/zinc/21/35/16/633213516.db2.gz RXJCTZVTVASBLQ-CYBMUJFWSA-N 2 1 240.416 1.817 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@]1(C)CCCS1 ZINC000328018899 633213518 /nfs/dbraw/zinc/21/35/18/633213518.db2.gz RXJCTZVTVASBLQ-CYBMUJFWSA-N 2 1 240.416 1.817 20 30 BDEDMP C=CCSCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328458155 633767276 /nfs/dbraw/zinc/76/72/76/633767276.db2.gz SLOSKZAXZCQCRO-JZRPKSSGSA-N 2 1 238.400 1.492 20 30 BDEDMP CCCNC(=[NH2+])NCC[N@@H+](CC)C(C)C ZINC000303980769 636320689 /nfs/dbraw/zinc/32/06/89/636320689.db2.gz OMLGOXIBCJHORA-UHFFFAOYSA-N 2 1 214.357 1.031 20 30 BDEDMP N#Cc1cccc(C[NH2+]CC2([NH3+])CC2)c1 ZINC000904442646 637411368 /nfs/dbraw/zinc/41/13/68/637411368.db2.gz GCZVLYTWIBFPTQ-UHFFFAOYSA-N 2 1 201.273 1.139 20 30 BDEDMP C=CCOc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906508367 638179003 /nfs/dbraw/zinc/17/90/03/638179003.db2.gz PMNMGZGTZGEUGU-JOCQHMNTSA-N 2 1 232.327 1.831 20 30 BDEDMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)C[C@H]21 ZINC000931277584 640129855 /nfs/dbraw/zinc/12/98/55/640129855.db2.gz LZPXAOPOPPPHNW-OBPIAQAESA-N 2 1 219.332 1.170 20 30 BDEDMP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@@H]3CC[C@H](C#N)C3)C[C@H]21 ZINC000931277584 640129859 /nfs/dbraw/zinc/12/98/59/640129859.db2.gz LZPXAOPOPPPHNW-OBPIAQAESA-N 2 1 219.332 1.170 20 30 BDEDMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2[C@H]1CC[C@@H](C#N)C1 ZINC000931721748 640338210 /nfs/dbraw/zinc/33/82/10/640338210.db2.gz WJXBXFKZOATBES-ZOBORPQBSA-N 2 1 233.359 1.847 20 30 BDEDMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2[C@H]1CC[C@H](C#N)C1 ZINC000931721746 640339533 /nfs/dbraw/zinc/33/95/33/640339533.db2.gz WJXBXFKZOATBES-XDQVBPFNSA-N 2 1 233.359 1.847 20 30 BDEDMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2[C@@H]1CC[C@@H](C#N)C1 ZINC000931721747 640341718 /nfs/dbraw/zinc/34/17/18/640341718.db2.gz WJXBXFKZOATBES-XJFOESAGSA-N 2 1 233.359 1.847 20 30 BDEDMP C=CC[C@@H](C)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933735348 640759610 /nfs/dbraw/zinc/75/96/10/640759610.db2.gz WAOJATUTYLZUMB-FRRDWIJNSA-N 2 1 208.349 1.835 20 30 BDEDMP C=CC[C@@H](C)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933735348 640759618 /nfs/dbraw/zinc/75/96/18/640759618.db2.gz WAOJATUTYLZUMB-FRRDWIJNSA-N 2 1 208.349 1.835 20 30 BDEDMP C=CC[C@@H](C)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933735348 640759621 /nfs/dbraw/zinc/75/96/21/640759621.db2.gz WAOJATUTYLZUMB-FRRDWIJNSA-N 2 1 208.349 1.835 20 30 BDEDMP C=CC[C@@H](C)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933735348 640759625 /nfs/dbraw/zinc/75/96/25/640759625.db2.gz WAOJATUTYLZUMB-FRRDWIJNSA-N 2 1 208.349 1.835 20 30 BDEDMP C#CCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000181305227 642861329 /nfs/dbraw/zinc/86/13/29/642861329.db2.gz YBHPAMSOFYONND-QWHCGFSZSA-N 2 1 208.349 1.862 20 30 BDEDMP C=CCC[C@H](O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000923336997 644357159 /nfs/dbraw/zinc/35/71/59/644357159.db2.gz WGPBVRCGXPMAAM-KBPBESRZSA-N 2 1 240.391 1.778 20 30 BDEDMP C=CCC[C@@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923367811 644377927 /nfs/dbraw/zinc/37/79/27/644377927.db2.gz IVZLUZITLOVVEV-GHMZBOCLSA-N 2 1 214.353 1.277 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000923361942 644386214 /nfs/dbraw/zinc/38/62/14/644386214.db2.gz ITMYTYRZAFLZHO-LLVKDONJSA-N 2 1 212.337 1.127 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+](C)C1(C[NH3+])CCC1 ZINC000923361942 644386217 /nfs/dbraw/zinc/38/62/17/644386217.db2.gz ITMYTYRZAFLZHO-LLVKDONJSA-N 2 1 212.337 1.127 20 30 BDEDMP C=CC[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923397746 644404674 /nfs/dbraw/zinc/40/46/74/644404674.db2.gz GKENZRMSHFFOQU-OLZOCXBDSA-N 2 1 236.359 1.263 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CC[NH2+]CCC1(C)C ZINC000923414206 644416735 /nfs/dbraw/zinc/41/67/35/644416735.db2.gz KUEGWGREBUTUOR-GFCCVEGCSA-N 2 1 226.364 1.387 20 30 BDEDMP C=CCC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000923426412 644421690 /nfs/dbraw/zinc/42/16/90/644421690.db2.gz DCRWMFKAXZYSIA-CHWSQXEVSA-N 2 1 238.375 1.578 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CC[C@H]1C[NH3+] ZINC000923490334 644465385 /nfs/dbraw/zinc/46/53/85/644465385.db2.gz MXZSQVQZMONFQG-MNOVXSKESA-N 2 1 233.315 1.568 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1C[NH3+] ZINC000923492941 644467439 /nfs/dbraw/zinc/46/74/39/644467439.db2.gz ZPQKZWGJDDYHHH-STQMWFEESA-N 2 1 243.354 1.975 20 30 BDEDMP C=C(Cl)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923491953 644468463 /nfs/dbraw/zinc/46/84/63/644468463.db2.gz VJSZYUNUOHOSAA-PSASIEDQSA-N 2 1 202.729 1.656 20 30 BDEDMP CCC[N@H+]1CC[C@@H](CNC(NCC)=[NH+]CC)C1 ZINC000303260474 644811616 /nfs/dbraw/zinc/81/16/16/644811616.db2.gz NEBNXWJIMXWNDQ-LBPRGKRZSA-N 2 1 240.395 1.293 20 30 BDEDMP CCN(CC)C(=[NH2+])NCC[N@H+]1CCCC[C@H]1C ZINC000303874140 644849918 /nfs/dbraw/zinc/84/99/18/644849918.db2.gz CURKNOXKHFTATN-GFCCVEGCSA-N 2 1 240.395 1.517 20 30 BDEDMP CCCCNC(=[NH2+])NC[C@H]1CC[N@@H+](CCC)C1 ZINC000303895468 644856131 /nfs/dbraw/zinc/85/61/31/644856131.db2.gz TVLYQNSOXOWFTO-GFCCVEGCSA-N 2 1 240.395 1.423 20 30 BDEDMP CC[C@@H](C)[N@@H+](C)CC[NH+]=C(N(C)C)N(C)C ZINC000303978553 644862445 /nfs/dbraw/zinc/86/24/45/644862445.db2.gz MKBPHDLXWMQNBG-LLVKDONJSA-N 2 1 228.384 1.196 20 30 BDEDMP CCCC[N@@H+](C)CCNC(NCC)=[NH+]CC ZINC000304061868 644868131 /nfs/dbraw/zinc/86/81/31/644868131.db2.gz PZMBTSZHDDHCAL-UHFFFAOYSA-N 2 1 228.384 1.293 20 30 BDEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252810998 644910085 /nfs/dbraw/zinc/91/00/85/644910085.db2.gz NYFLZWFCBXMBJU-MELADBBJSA-N 2 1 238.375 1.794 20 30 BDEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252810998 644910091 /nfs/dbraw/zinc/91/00/91/644910091.db2.gz NYFLZWFCBXMBJU-MELADBBJSA-N 2 1 238.375 1.794 20 30 BDEDMP CCCCNC(=[NH2+])NC[C@H]1CCCC[N@H+]1CC ZINC000304761893 644930647 /nfs/dbraw/zinc/93/06/47/644930647.db2.gz VBSHCZBOHJYTPY-GFCCVEGCSA-N 2 1 240.395 1.565 20 30 BDEDMP C=CCN1CCC([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925550353 646326025 /nfs/dbraw/zinc/32/60/25/646326025.db2.gz RGMCHZINELQKLY-KBPBESRZSA-N 2 1 249.402 1.496 20 30 BDEDMP C=C(C)COCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925619193 646366953 /nfs/dbraw/zinc/36/69/53/646366953.db2.gz LJYKNSVTEOWGRA-CYBMUJFWSA-N 2 1 238.375 1.843 20 30 BDEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)nc1 ZINC000925672038 646402094 /nfs/dbraw/zinc/40/20/94/646402094.db2.gz GHXRYYYAGWARGE-OLZOCXBDSA-N 2 1 242.326 1.313 20 30 BDEDMP N#Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)nc1 ZINC000925672037 646403486 /nfs/dbraw/zinc/40/34/86/646403486.db2.gz GHXRYYYAGWARGE-CHWSQXEVSA-N 2 1 242.326 1.313 20 30 BDEDMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000925680364 646408332 /nfs/dbraw/zinc/40/83/32/646408332.db2.gz IRRYWDRQUPPJPO-VOAKCMCISA-N 2 1 221.348 1.799 20 30 BDEDMP C#CC[N@@H+](C)CCCNCc1cc(C)no1 ZINC000328087337 711689278 /nfs/dbraw/zinc/68/92/78/711689278.db2.gz HWZXXIVJYLUZJT-UHFFFAOYSA-N 2 1 221.304 1.028 20 30 BDEDMP C#CC[C@@H](COC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000716843668 712578402 /nfs/dbraw/zinc/57/84/02/712578402.db2.gz CIVXGTHFVJBTJW-ZDUSSCGKSA-N 2 1 236.359 1.241 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926492004 711615984 /nfs/dbraw/zinc/61/59/84/711615984.db2.gz ZRRBKZAFYQXZCV-ZNMIVQPWSA-N 2 1 232.371 1.886 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926492004 711615995 /nfs/dbraw/zinc/61/59/95/711615995.db2.gz ZRRBKZAFYQXZCV-ZNMIVQPWSA-N 2 1 232.371 1.886 20 30 BDEDMP CCNC(NC[C@@H]1CCCC[N@@H+](C)C1)=[NH+]CC ZINC000700812880 712006975 /nfs/dbraw/zinc/00/69/75/712006975.db2.gz KFXUDKFTFSLDKZ-LBPRGKRZSA-N 2 1 240.395 1.293 20 30 BDEDMP C=CCCCCCCC[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206512295 968347848 /nfs/dbraw/zinc/34/78/48/968347848.db2.gz LGYZFIVSAWWGFF-KBPBESRZSA-N 2 1 240.391 1.764 20 30 BDEDMP C=CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001252625301 968886622 /nfs/dbraw/zinc/88/66/22/968886622.db2.gz VGOXWTOGVRDSHI-FRRDWIJNSA-N 2 1 226.364 1.243 20 30 BDEDMP C[N@H+]1CCC[C@@H]([NH+]2CCC(S)CC2)CC1 ZINC001254526141 969723170 /nfs/dbraw/zinc/72/31/70/969723170.db2.gz OKPSJZXFEKOHDA-LLVKDONJSA-N 2 1 228.405 1.865 20 30 BDEDMP C#CC[N@@H+](CCCn1cc[nH+]c1C)CC1CC1 ZINC001336227580 977585051 /nfs/dbraw/zinc/58/50/51/977585051.db2.gz HTRXYELGTYKOTJ-UHFFFAOYSA-N 2 1 231.343 1.927 20 30 BDEDMP C#CC[N@H+](CCCn1cc[nH+]c1C)CC1CC1 ZINC001336227580 977585057 /nfs/dbraw/zinc/58/50/57/977585057.db2.gz HTRXYELGTYKOTJ-UHFFFAOYSA-N 2 1 231.343 1.927 20 30 BDEDMP CCCCCCCCC[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206454756 979143501 /nfs/dbraw/zinc/14/35/01/979143501.db2.gz GHYSSINAOOWJPN-UONOGXRCSA-N 2 1 242.407 1.988 20 30 BDEDMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)CCCC#N ZINC001172481852 974782494 /nfs/dbraw/zinc/78/24/94/974782494.db2.gz YOLMJPFSWOSVAA-JTQLQIEISA-N 2 1 220.320 1.948 20 30 BDEDMP Cc1ccc(CC#N)c(N2CC[C@@](F)(C[NH3+])C2)[nH+]1 ZINC001157817751 963737770 /nfs/dbraw/zinc/73/77/70/963737770.db2.gz YGHMWXFXLIKUSE-CYBMUJFWSA-N 2 1 248.305 1.333 20 30 BDEDMP C#CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000161140819 964877231 /nfs/dbraw/zinc/87/72/31/964877231.db2.gz RXHSJYASYJRFIY-KBPBESRZSA-N 2 1 220.360 1.816 20 30 BDEDMP C#CCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000161140819 964877235 /nfs/dbraw/zinc/87/72/35/964877235.db2.gz RXHSJYASYJRFIY-KBPBESRZSA-N 2 1 220.360 1.816 20 30 BDEDMP C#CCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000161140819 964877244 /nfs/dbraw/zinc/87/72/44/964877244.db2.gz RXHSJYASYJRFIY-KBPBESRZSA-N 2 1 220.360 1.816 20 30 BDEDMP CC1(C[NH3+])C[NH+](CCCc2ccc(C#N)cc2)C1 ZINC001206711544 966196693 /nfs/dbraw/zinc/19/66/93/966196693.db2.gz KHPIHUSKJRUMKX-UHFFFAOYSA-N 2 1 243.354 1.771 20 30 BDEDMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(C#N)cn2)CC1 ZINC001205281149 967471322 /nfs/dbraw/zinc/47/13/22/967471322.db2.gz QJQVTCNHSYJOKR-CQSZACIVSA-N 2 1 244.342 1.657 20 30 BDEDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(C#N)cn2)CC1 ZINC001205281149 967471328 /nfs/dbraw/zinc/47/13/28/967471328.db2.gz QJQVTCNHSYJOKR-CQSZACIVSA-N 2 1 244.342 1.657 20 30 BDEDMP N#CC[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207437492 968770551 /nfs/dbraw/zinc/77/05/51/968770551.db2.gz JEPVXPIEKZXCJH-GFCCVEGCSA-N 2 1 221.348 1.612 20 30 BDEDMP C=C[C@](C)(O)C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001252557630 968799608 /nfs/dbraw/zinc/79/96/08/968799608.db2.gz JEXJGKVSXOACLB-AWEZNQCLSA-N 2 1 238.375 1.482 20 30 BDEDMP C=C[C@](C)(O)C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001252557630 968799613 /nfs/dbraw/zinc/79/96/13/968799613.db2.gz JEXJGKVSXOACLB-AWEZNQCLSA-N 2 1 238.375 1.482 20 30 BDEDMP C=C[C@@](C)(O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001252582942 968835394 /nfs/dbraw/zinc/83/53/94/968835394.db2.gz ZPBUPPBIHAVMOW-YIYPIFLZSA-N 2 1 238.375 1.528 20 30 BDEDMP C=CCC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001252615290 968872867 /nfs/dbraw/zinc/87/28/67/968872867.db2.gz YDVCNZCKYNOORY-QWHCGFSZSA-N 2 1 226.364 1.245 20 30 BDEDMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](C#N)C2)CC1 ZINC001208597531 969151138 /nfs/dbraw/zinc/15/11/38/969151138.db2.gz ISSGUPMQNPDBTP-ZDUSSCGKSA-N 2 1 221.348 1.564 20 30 BDEDMP C#CC1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208612042 969169531 /nfs/dbraw/zinc/16/95/31/969169531.db2.gz ABMGBFKYWNWLSR-CQSZACIVSA-N 2 1 220.360 1.673 20 30 BDEDMP C=C[C@H](O)C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC001253600876 969293268 /nfs/dbraw/zinc/29/32/68/969293268.db2.gz GYDAJYJROKDKLH-OLZOCXBDSA-N 2 1 226.364 1.387 20 30 BDEDMP C#C[C@H]1CCC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC001169265683 969525554 /nfs/dbraw/zinc/52/55/54/969525554.db2.gz OYYXWCFZUUOXHT-ZDUSSCGKSA-N 2 1 220.360 1.816 20 30 BDEDMP C#C[C@H]1CCC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC001169265683 969525559 /nfs/dbraw/zinc/52/55/59/969525559.db2.gz OYYXWCFZUUOXHT-ZDUSSCGKSA-N 2 1 220.360 1.816 20 30 BDEDMP C[N@@H+]1CCC[C@@H]([NH2+]CC2(C#N)CCC2)CC1 ZINC001254498327 969660844 /nfs/dbraw/zinc/66/08/44/969660844.db2.gz VSPSOWKQQAKJSY-GFCCVEGCSA-N 2 1 221.348 1.754 20 30 BDEDMP C[N@H+]1CCC[C@@H]([NH2+]CC2(C#N)CCC2)CC1 ZINC001254498327 969660851 /nfs/dbraw/zinc/66/08/51/969660851.db2.gz VSPSOWKQQAKJSY-GFCCVEGCSA-N 2 1 221.348 1.754 20 30 BDEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C(C)(C)C[NH3+] ZINC001171178006 972805673 /nfs/dbraw/zinc/80/56/73/972805673.db2.gz BZRBOWBVJXZGIV-NSHDSACASA-N 2 1 231.343 1.816 20 30 BDEDMP CC1(C#N)CCC([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246854964 973174892 /nfs/dbraw/zinc/17/48/92/973174892.db2.gz RRAFCPXBAWJHTP-ABXWRUBCSA-N 2 1 233.359 1.882 20 30 BDEDMP C[C@@H](CCCC#N)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001172483313 974786635 /nfs/dbraw/zinc/78/66/35/974786635.db2.gz OXLCAQCHVZMHBE-WDEREUQCSA-N 2 1 236.319 1.000 20 30 BDEDMP C=CCO[C@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC001342228569 979722030 /nfs/dbraw/zinc/72/20/30/979722030.db2.gz KTRQEFYGLDHPEV-KGLIPLIRSA-N 2 1 238.375 1.748 20 30 BDEDMP C=CCO[C@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC001342228569 979722039 /nfs/dbraw/zinc/72/20/39/979722039.db2.gz KTRQEFYGLDHPEV-KGLIPLIRSA-N 2 1 238.375 1.748 20 30 BDEDMP C=CCO[C@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC001342228569 979722047 /nfs/dbraw/zinc/72/20/47/979722047.db2.gz KTRQEFYGLDHPEV-KGLIPLIRSA-N 2 1 238.375 1.748 20 30 BDEDMP C=CCO[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC001343021025 979979366 /nfs/dbraw/zinc/97/93/66/979979366.db2.gz PAISFURIAXOGPJ-AWEZNQCLSA-N 2 1 238.375 1.605 20 30 BDEDMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC001345105839 980551203 /nfs/dbraw/zinc/55/12/03/980551203.db2.gz UAGNEEFEKKUTSP-NSHDSACASA-N 2 1 247.342 1.654 20 30 BDEDMP C#CCCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205604814 981181486 /nfs/dbraw/zinc/18/14/86/981181486.db2.gz XSELZHZVYBFBLG-CHWSQXEVSA-N 2 1 208.349 1.707 20 30 BDEDMP C[C@H](CCC#N)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001575941755 984138723 /nfs/dbraw/zinc/13/87/23/984138723.db2.gz VBBFIGBFYPCVGY-GRYCIOLGSA-N 2 1 207.321 1.220 20 30 BDEDMP C[C@H](CCC#N)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001575941755 984138700 /nfs/dbraw/zinc/13/87/00/984138700.db2.gz VBBFIGBFYPCVGY-GRYCIOLGSA-N 2 1 207.321 1.220 20 30 BDEDMP C=CCC[C@@H](C)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001258718607 986045037 /nfs/dbraw/zinc/04/50/37/986045037.db2.gz RTZZGEBISJFILH-VXGBXAGGSA-N 2 1 242.363 1.601 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246021572 987309882 /nfs/dbraw/zinc/30/98/82/987309882.db2.gz KQTOBTUQYMICQC-IHRRRGAJSA-N 2 1 240.391 1.620 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001246024052 987317974 /nfs/dbraw/zinc/31/79/74/987317974.db2.gz PVUCJKALMBJMCW-AVGNSLFASA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001246024052 987317965 /nfs/dbraw/zinc/31/79/65/987317965.db2.gz PVUCJKALMBJMCW-AVGNSLFASA-N 2 1 226.364 1.373 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246029929 987330831 /nfs/dbraw/zinc/33/08/31/987330831.db2.gz NGFBAKZLVQZESP-UONOGXRCSA-N 2 1 238.375 1.532 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246029929 987330837 /nfs/dbraw/zinc/33/08/37/987330837.db2.gz NGFBAKZLVQZESP-UONOGXRCSA-N 2 1 238.375 1.532 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246033222 987336164 /nfs/dbraw/zinc/33/61/64/987336164.db2.gz UKDAXYFVAWKICB-MJBXVCDLSA-N 2 1 240.391 1.620 20 30 BDEDMP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC001246281606 987675086 /nfs/dbraw/zinc/67/50/86/987675086.db2.gz OPTTUNUXYZCXOY-ZACCUICWSA-N 2 1 247.367 1.992 20 30 BDEDMP CCCCCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246486797 987845370 /nfs/dbraw/zinc/84/53/70/987845370.db2.gz FODDJXKSKIIQFW-KGLIPLIRSA-N 2 1 241.423 1.886 20 30 BDEDMP C=C1C[C@@H]2CC([NH2+]C[C@H]3C[NH2+]CCN3)C[C@H](C1)C2 ZINC001246493349 987847628 /nfs/dbraw/zinc/84/76/28/987847628.db2.gz YULSMGBWAVADMS-IZGVIRRGSA-N 2 1 249.402 1.272 20 30 BDEDMP C[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)cs2)CC[NH2+]1 ZINC001246502631 987855735 /nfs/dbraw/zinc/85/57/35/987855735.db2.gz ILMLCEVSEIGOGB-MWLCHTKSSA-N 2 1 235.356 1.850 20 30 BDEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[NH2+]CC1 ZINC001246523888 987876679 /nfs/dbraw/zinc/87/66/79/987876679.db2.gz LNEDIOWNDPGEED-CYBMUJFWSA-N 2 1 243.354 1.785 20 30 BDEDMP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[NH2+]CC1 ZINC001246523888 987876682 /nfs/dbraw/zinc/87/66/82/987876682.db2.gz LNEDIOWNDPGEED-CYBMUJFWSA-N 2 1 243.354 1.785 20 30 BDEDMP C=CCC[C@H](C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246542777 987909199 /nfs/dbraw/zinc/90/91/99/987909199.db2.gz KZKDPSDDDNBXQQ-QWHCGFSZSA-N 2 1 226.364 1.517 20 30 BDEDMP CC[C@@H](CC#N)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246552839 987955090 /nfs/dbraw/zinc/95/50/90/987955090.db2.gz VTWJZGBSRSACFA-NWDGAFQWSA-N 2 1 227.327 1.832 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)C1 ZINC001246558461 987977690 /nfs/dbraw/zinc/97/76/90/987977690.db2.gz LBOJPUFCJBUUBS-OUAUKWLOSA-N 2 1 243.301 1.595 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)C1 ZINC001246558461 987977704 /nfs/dbraw/zinc/97/77/04/987977704.db2.gz LBOJPUFCJBUUBS-OUAUKWLOSA-N 2 1 243.301 1.595 20 30 BDEDMP N#C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246637304 988330015 /nfs/dbraw/zinc/33/00/15/988330015.db2.gz PZAZJCKMKXZXED-IRCOFANPSA-N 2 1 205.305 1.115 20 30 BDEDMP N#C[C@H]1CC[C@@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246637304 988330036 /nfs/dbraw/zinc/33/00/36/988330036.db2.gz PZAZJCKMKXZXED-IRCOFANPSA-N 2 1 205.305 1.115 20 30 BDEDMP C=CCO[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC001326502831 989589675 /nfs/dbraw/zinc/58/96/75/989589675.db2.gz NTSIUNGDCWFBTH-OLZOCXBDSA-N 2 1 224.348 1.263 20 30 BDEDMP C#CCC[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001120492831 989676357 /nfs/dbraw/zinc/67/63/57/989676357.db2.gz PVTLRZKOAZIRQK-HNNXBMFYSA-N 2 1 246.354 1.092 20 30 BDEDMP C#CCC[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001120492831 989676367 /nfs/dbraw/zinc/67/63/67/989676367.db2.gz PVTLRZKOAZIRQK-HNNXBMFYSA-N 2 1 246.354 1.092 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]CC2(OC)CCC2)CC1 ZINC001262009254 992593216 /nfs/dbraw/zinc/59/32/16/992593216.db2.gz PGXMZULCTQPFAM-UHFFFAOYSA-N 2 1 238.375 1.796 20 30 BDEDMP C#C[C@](C)(CC)[NH2+]C[C@@H](O)C[NH+](CC)CC ZINC000384222728 993559073 /nfs/dbraw/zinc/55/90/73/993559073.db2.gz SYVOFKFCZPEHJW-CHWSQXEVSA-N 2 1 226.364 1.081 20 30 BDEDMP C=CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161285378 538915270 /nfs/dbraw/zinc/91/52/70/538915270.db2.gz JYBIYZYXJPXAPC-UHFFFAOYSA-N 2 1 203.289 1.390 20 30 BDEDMP C=C(C)[C@@H](CO)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000649339465 398156926 /nfs/dbraw/zinc/15/69/26/398156926.db2.gz XGRNNGUWMAEIEN-QWHCGFSZSA-N 2 1 226.364 1.197 20 30 BDEDMP C=C(C)[C@@H](CO)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000649339465 398156930 /nfs/dbraw/zinc/15/69/30/398156930.db2.gz XGRNNGUWMAEIEN-QWHCGFSZSA-N 2 1 226.364 1.197 20 30 BDEDMP C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000649339465 398156934 /nfs/dbraw/zinc/15/69/34/398156934.db2.gz XGRNNGUWMAEIEN-QWHCGFSZSA-N 2 1 226.364 1.197 20 30 BDEDMP C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000649339465 398156937 /nfs/dbraw/zinc/15/69/37/398156937.db2.gz XGRNNGUWMAEIEN-QWHCGFSZSA-N 2 1 226.364 1.197 20 30 BDEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430750232 398229919 /nfs/dbraw/zinc/22/99/19/398229919.db2.gz NBSCNIYAHNVEHT-UPJWGTAASA-N 2 1 235.375 1.999 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H]1C(C)C ZINC000378781835 346833418 /nfs/dbraw/zinc/83/34/18/346833418.db2.gz HUZXWQVDOHTGES-KBPBESRZSA-N 2 1 222.376 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@H]1C(C)C ZINC000378781835 346833421 /nfs/dbraw/zinc/83/34/21/346833421.db2.gz HUZXWQVDOHTGES-KBPBESRZSA-N 2 1 222.376 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378790815 346834093 /nfs/dbraw/zinc/83/40/93/346834093.db2.gz QLULROGFFGNBJW-MJBXVCDLSA-N 2 1 220.360 1.720 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378790815 346834094 /nfs/dbraw/zinc/83/40/94/346834094.db2.gz QLULROGFFGNBJW-MJBXVCDLSA-N 2 1 220.360 1.720 20 30 BDEDMP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000602558461 349598345 /nfs/dbraw/zinc/59/83/45/349598345.db2.gz AUDHLPUVKIJTQP-AGIUHOORSA-N 2 1 223.364 1.999 20 30 BDEDMP C=CCCOCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000222449425 259328056 /nfs/dbraw/zinc/32/80/56/259328056.db2.gz JGWITKRSVFMPOF-MELADBBJSA-N 2 1 240.391 1.897 20 30 BDEDMP C[C@@H](CCC#N)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000602640259 349653287 /nfs/dbraw/zinc/65/32/87/349653287.db2.gz LJHABIFHGJJBNI-RWMBFGLXSA-N 2 1 221.348 1.420 20 30 BDEDMP C[C@@H]1C[C@H]([N@@H+](C)CCOCCC#N)CCN1C ZINC000339010357 136279752 /nfs/dbraw/zinc/27/97/52/136279752.db2.gz LYQQVMQHWCSFIB-CHWSQXEVSA-N 2 1 239.363 1.331 20 30 BDEDMP C[C@@H]1C[C@H]([N@H+](C)CCOCCC#N)CC[NH+]1C ZINC000339010357 136279755 /nfs/dbraw/zinc/27/97/55/136279755.db2.gz LYQQVMQHWCSFIB-CHWSQXEVSA-N 2 1 239.363 1.331 20 30 BDEDMP C[C@@H]1C[C@H]([N@@H+](C)CCOCCC#N)CC[NH+]1C ZINC000339010357 136279756 /nfs/dbraw/zinc/27/97/56/136279756.db2.gz LYQQVMQHWCSFIB-CHWSQXEVSA-N 2 1 239.363 1.331 20 30 BDEDMP C=CCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000232573744 537801443 /nfs/dbraw/zinc/80/14/43/537801443.db2.gz OJFKQDBKHBTBPG-BETUJISGSA-N 2 1 208.349 1.884 20 30 BDEDMP CCC[N@H+]1CC[C@H](C[NH+]=C(N(C)C)N(C)C)C1 ZINC000262002043 534950515 /nfs/dbraw/zinc/95/05/15/534950515.db2.gz PYQFGKWHCKTNHD-GFCCVEGCSA-N 2 1 240.395 1.198 20 30 BDEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCC#N ZINC000133238667 344316063 /nfs/dbraw/zinc/31/60/63/344316063.db2.gz HBMAPUYHQWDPPW-RYUDHWBXSA-N 2 1 209.337 1.610 20 30 BDEDMP CC(C)(C#N)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283217 344516647 /nfs/dbraw/zinc/51/66/47/344516647.db2.gz WAKKGEINQZJRQV-PHIMTYICSA-N 2 1 207.321 1.077 20 30 BDEDMP CNC(=[NH2+])NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000111994533 344610876 /nfs/dbraw/zinc/61/08/76/344610876.db2.gz XDKOTFUQMAFNOE-NSHDSACASA-N 2 1 234.347 1.041 20 30 BDEDMP CNC(=[NH2+])NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000111994533 344610878 /nfs/dbraw/zinc/61/08/78/344610878.db2.gz XDKOTFUQMAFNOE-NSHDSACASA-N 2 1 234.347 1.041 20 30 BDEDMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C#N)CC1 ZINC000120080431 344876371 /nfs/dbraw/zinc/87/63/71/344876371.db2.gz SNWBFKWOGILURH-CYBMUJFWSA-N 2 1 221.348 1.706 20 30 BDEDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C#N)CC1 ZINC000120080431 344876373 /nfs/dbraw/zinc/87/63/73/344876373.db2.gz SNWBFKWOGILURH-CYBMUJFWSA-N 2 1 221.348 1.706 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](C)COC)CC1 ZINC000187823461 346619806 /nfs/dbraw/zinc/61/98/06/346619806.db2.gz AAPMFNSBTIPQQF-LBPRGKRZSA-N 2 1 226.364 1.509 20 30 BDEDMP CC#CCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000364514024 347461340 /nfs/dbraw/zinc/46/13/40/347461340.db2.gz OMRMHSJQEPENNG-KFWWJZLASA-N 2 1 232.371 1.816 20 30 BDEDMP CC#CCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000364514024 347461341 /nfs/dbraw/zinc/46/13/41/347461341.db2.gz OMRMHSJQEPENNG-KFWWJZLASA-N 2 1 232.371 1.816 20 30 BDEDMP CC#CCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000364514024 347461344 /nfs/dbraw/zinc/46/13/44/347461344.db2.gz OMRMHSJQEPENNG-KFWWJZLASA-N 2 1 232.371 1.816 20 30 BDEDMP Cn1c[nH+]cc1CCN1CCC[C@@](C)(C#N)C1 ZINC000590956101 347593757 /nfs/dbraw/zinc/59/37/57/347593757.db2.gz SJBGTDRNESSEKT-ZDUSSCGKSA-N 2 1 232.331 1.588 20 30 BDEDMP Cn1cncc1CC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000590956101 347593758 /nfs/dbraw/zinc/59/37/58/347593758.db2.gz SJBGTDRNESSEKT-ZDUSSCGKSA-N 2 1 232.331 1.588 20 30 BDEDMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000591570685 347675866 /nfs/dbraw/zinc/67/58/66/347675866.db2.gz AUCOSRORFZUZAA-NXEZZACHSA-N 2 1 235.306 1.913 20 30 BDEDMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(C#N)cc1 ZINC000591581446 347678422 /nfs/dbraw/zinc/67/84/22/347678422.db2.gz WQDYCKOLUPFCCX-VHSXEESVSA-N 2 1 203.289 1.556 20 30 BDEDMP C=CCCSCC[NH2+]C1CC[NH+](C)CC1 ZINC000594959977 348150434 /nfs/dbraw/zinc/15/04/34/348150434.db2.gz HDBGRXNIYDAXBN-UHFFFAOYSA-N 2 1 228.405 1.980 20 30 BDEDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595896810 348387327 /nfs/dbraw/zinc/38/73/27/348387327.db2.gz YAIKWCUACZNNNY-IUODEOHRSA-N 2 1 243.354 1.912 20 30 BDEDMP CC(C)([NH3+])C[NH2+]Cc1cccc(C#N)c1 ZINC000308870754 348980590 /nfs/dbraw/zinc/98/05/90/348980590.db2.gz SDHGHLAEAJNTAR-UHFFFAOYSA-N 2 1 203.289 1.385 20 30 BDEDMP C=CCOCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339429222 350757541 /nfs/dbraw/zinc/75/75/41/350757541.db2.gz QHRKZRSRWHQEKU-CQSZACIVSA-N 2 1 238.375 1.607 20 30 BDEDMP C=CCOCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339429222 350757543 /nfs/dbraw/zinc/75/75/43/350757543.db2.gz QHRKZRSRWHQEKU-CQSZACIVSA-N 2 1 238.375 1.607 20 30 BDEDMP C=CCOCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339429222 350757547 /nfs/dbraw/zinc/75/75/47/350757547.db2.gz QHRKZRSRWHQEKU-CQSZACIVSA-N 2 1 238.375 1.607 20 30 BDEDMP C#CCN1CCCC2(CCC[N@@H+](CC#C)C2)C1 ZINC000289627944 353623318 /nfs/dbraw/zinc/62/33/18/353623318.db2.gz ZOCQWRVYCFUVOM-UHFFFAOYSA-N 2 1 230.355 1.431 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cncc(C)c1 ZINC000295126681 353802484 /nfs/dbraw/zinc/80/24/84/353802484.db2.gz ZIYMXORPLOVFII-CQSZACIVSA-N 2 1 245.370 1.996 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cncc(C)c1 ZINC000295126681 353802486 /nfs/dbraw/zinc/80/24/86/353802486.db2.gz ZIYMXORPLOVFII-CQSZACIVSA-N 2 1 245.370 1.996 20 30 BDEDMP C=C(CC)C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000449736899 202006302 /nfs/dbraw/zinc/00/63/02/202006302.db2.gz XPALHSILOYYDFU-UHFFFAOYSA-N 2 1 226.364 1.653 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C1 ZINC000329518978 355927344 /nfs/dbraw/zinc/92/73/44/355927344.db2.gz NTKUEIPAXAWNBA-MXWKQRLJSA-N 2 1 230.315 1.549 20 30 BDEDMP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)CCC#N)C1 ZINC000351410851 355986955 /nfs/dbraw/zinc/98/69/55/355986955.db2.gz KCXUPQXHUHSKLA-CHWSQXEVSA-N 2 1 223.364 1.952 20 30 BDEDMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)CCC#N)C1 ZINC000351410851 355986956 /nfs/dbraw/zinc/98/69/56/355986956.db2.gz KCXUPQXHUHSKLA-CHWSQXEVSA-N 2 1 223.364 1.952 20 30 BDEDMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000351410851 355986958 /nfs/dbraw/zinc/98/69/58/355986958.db2.gz KCXUPQXHUHSKLA-CHWSQXEVSA-N 2 1 223.364 1.952 20 30 BDEDMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)CCC#N)C1 ZINC000351410851 355986960 /nfs/dbraw/zinc/98/69/60/355986960.db2.gz KCXUPQXHUHSKLA-CHWSQXEVSA-N 2 1 223.364 1.952 20 30 BDEDMP C=CC[N@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420314509 192213516 /nfs/dbraw/zinc/21/35/16/192213516.db2.gz LCYIDMMAAUAIAG-ZDUSSCGKSA-N 2 1 234.343 1.855 20 30 BDEDMP C=CCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000336369527 134145245 /nfs/dbraw/zinc/14/52/45/134145245.db2.gz PRZSDPOMADCNAA-ZDUSSCGKSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000336369527 134145246 /nfs/dbraw/zinc/14/52/46/134145246.db2.gz PRZSDPOMADCNAA-ZDUSSCGKSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000336369527 134145247 /nfs/dbraw/zinc/14/52/47/134145247.db2.gz PRZSDPOMADCNAA-ZDUSSCGKSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CCC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000358230181 134187134 /nfs/dbraw/zinc/18/71/34/134187134.db2.gz GYZVJVBARXTXOX-KBPBESRZSA-N 2 1 238.375 1.387 20 30 BDEDMP C=CCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000358230181 134187135 /nfs/dbraw/zinc/18/71/35/134187135.db2.gz GYZVJVBARXTXOX-KBPBESRZSA-N 2 1 238.375 1.387 20 30 BDEDMP C[N@@H+]1CC[C@H]2CC[NH+](CCCCC#N)[C@H]2C1 ZINC000361100840 134203398 /nfs/dbraw/zinc/20/33/98/134203398.db2.gz APECTUCXKUMMFM-STQMWFEESA-N 2 1 221.348 1.706 20 30 BDEDMP C[N@H+]1CC[C@H]2CC[NH+](CCCCC#N)[C@H]2C1 ZINC000361100840 134203399 /nfs/dbraw/zinc/20/33/99/134203399.db2.gz APECTUCXKUMMFM-STQMWFEESA-N 2 1 221.348 1.706 20 30 BDEDMP C[NH+]1CC[C@H]2CC[N@H+](CCCCC#N)[C@H]2C1 ZINC000361100840 134203400 /nfs/dbraw/zinc/20/34/00/134203400.db2.gz APECTUCXKUMMFM-STQMWFEESA-N 2 1 221.348 1.706 20 30 BDEDMP C[NH+]1CC[C@H]2CC[N@@H+](CCCCC#N)[C@H]2C1 ZINC000361100840 134203401 /nfs/dbraw/zinc/20/34/01/134203401.db2.gz APECTUCXKUMMFM-STQMWFEESA-N 2 1 221.348 1.706 20 30 BDEDMP C#CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000362804745 134214399 /nfs/dbraw/zinc/21/43/99/134214399.db2.gz FWLUYGGSFJLOJJ-CQSZACIVSA-N 2 1 220.360 1.818 20 30 BDEDMP C=CC[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371424769 134228583 /nfs/dbraw/zinc/22/85/83/134228583.db2.gz PPAYWBRDTDFGBS-AWEZNQCLSA-N 2 1 237.391 1.132 20 30 BDEDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(C#N)c1 ZINC000215987895 358433475 /nfs/dbraw/zinc/43/34/75/358433475.db2.gz GQAIMEIZVHBJCR-BXUZGUMPSA-N 2 1 229.327 1.727 20 30 BDEDMP C#CC[N@H+](C)CCCNc1cc(C)[nH+]c(C)n1 ZINC000292844704 359302986 /nfs/dbraw/zinc/30/29/86/359302986.db2.gz QVXYMIIKALZNLP-UHFFFAOYSA-N 2 1 232.331 1.460 20 30 BDEDMP C#CC[N@@H+](C)CCCNc1cc(C)[nH+]c(C)n1 ZINC000292844704 359302990 /nfs/dbraw/zinc/30/29/90/359302990.db2.gz QVXYMIIKALZNLP-UHFFFAOYSA-N 2 1 232.331 1.460 20 30 BDEDMP C#CC[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000090003373 360052283 /nfs/dbraw/zinc/05/22/83/360052283.db2.gz PJNYEKVFRXOLLT-LBPRGKRZSA-N 2 1 217.316 1.308 20 30 BDEDMP C#CC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090003373 360052290 /nfs/dbraw/zinc/05/22/90/360052290.db2.gz PJNYEKVFRXOLLT-LBPRGKRZSA-N 2 1 217.316 1.308 20 30 BDEDMP C=CC[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000629650124 361546151 /nfs/dbraw/zinc/54/61/51/361546151.db2.gz OKHNSIHAKJQJBZ-STQMWFEESA-N 2 1 208.349 1.884 20 30 BDEDMP N#Cc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107574083 369353682 /nfs/dbraw/zinc/35/36/82/369353682.db2.gz JUMIPCSIWMVVDF-KBPBESRZSA-N 2 1 227.311 1.209 20 30 BDEDMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000600768132 369563338 /nfs/dbraw/zinc/56/33/38/369563338.db2.gz CNPDENQHHOBTJU-IUCAKERBSA-N 2 1 207.277 1.367 20 30 BDEDMP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])o1 ZINC000600767563 369563515 /nfs/dbraw/zinc/56/35/15/369563515.db2.gz BKFVLJQSFNTERD-LLVKDONJSA-N 2 1 233.315 1.855 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])o1 ZINC000600767563 369563519 /nfs/dbraw/zinc/56/35/19/369563519.db2.gz BKFVLJQSFNTERD-LLVKDONJSA-N 2 1 233.315 1.855 20 30 BDEDMP CC[C@H](CC#N)[NH2+]CCCc1c[nH+]cn1C ZINC000568181665 326321631 /nfs/dbraw/zinc/32/16/31/326321631.db2.gz ZRJDYWLTIGWSIO-LLVKDONJSA-N 2 1 220.320 1.635 20 30 BDEDMP C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C[NH3+] ZINC000253202027 370163559 /nfs/dbraw/zinc/16/35/59/370163559.db2.gz YNVBCCXMCHUDAC-IUODEOHRSA-N 2 1 243.354 1.975 20 30 BDEDMP C[C@H](C[NH2+]Cc1cc(C#N)cs1)C[NH+](C)C ZINC000336654876 384245057 /nfs/dbraw/zinc/24/50/57/384245057.db2.gz GXGVCZLLBUUVTM-SNVBAGLBSA-N 2 1 237.372 1.907 20 30 BDEDMP N#CCCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150793162 384506343 /nfs/dbraw/zinc/50/63/43/384506343.db2.gz UCJGXMCSVHPABQ-CYBMUJFWSA-N 2 1 221.348 1.708 20 30 BDEDMP N#CCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150793162 384506351 /nfs/dbraw/zinc/50/63/51/384506351.db2.gz UCJGXMCSVHPABQ-CYBMUJFWSA-N 2 1 221.348 1.708 20 30 BDEDMP C[C@H]([NH2+][C@@H](CN)C1CC1)c1cccc(C#N)c1 ZINC000423272462 384528004 /nfs/dbraw/zinc/52/80/04/384528004.db2.gz IDHLKRFPQXGMRY-HZMBPMFUSA-N 2 1 229.327 1.946 20 30 BDEDMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(C#N)c1 ZINC000423272462 384528012 /nfs/dbraw/zinc/52/80/12/384528012.db2.gz IDHLKRFPQXGMRY-HZMBPMFUSA-N 2 1 229.327 1.946 20 30 BDEDMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000309627911 384666162 /nfs/dbraw/zinc/66/61/62/384666162.db2.gz GWVKFAPFROYRAR-AAEUAGOBSA-N 2 1 221.348 1.753 20 30 BDEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000044535419 384657265 /nfs/dbraw/zinc/65/72/65/384657265.db2.gz BKSXBFWJRRWNNX-OAHLLOKOSA-N 2 1 243.354 1.990 20 30 BDEDMP C[NH+]1CCC([NH2+]CCc2cccc(C#N)c2)CC1 ZINC000341473435 385803844 /nfs/dbraw/zinc/80/38/44/385803844.db2.gz VOYSEXSGUGSFSK-UHFFFAOYSA-N 2 1 243.354 1.785 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccccc1 ZINC000307318155 385850863 /nfs/dbraw/zinc/85/08/63/385850863.db2.gz PZIQUUZCSYKKJN-UHFFFAOYSA-N 2 1 216.328 1.731 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccc1 ZINC000307318155 385850866 /nfs/dbraw/zinc/85/08/66/385850866.db2.gz PZIQUUZCSYKKJN-UHFFFAOYSA-N 2 1 216.328 1.731 20 30 BDEDMP C=CCCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181767542 386382908 /nfs/dbraw/zinc/38/29/08/386382908.db2.gz GLUDVESBFDFCAT-CHWSQXEVSA-N 2 1 226.364 1.651 20 30 BDEDMP CC[N@@H+](CCN[C@H]1CC[C@H](C#N)C1)C(C)C ZINC000336773876 386328332 /nfs/dbraw/zinc/32/83/32/386328332.db2.gz WGYXVRIYBGOWIQ-STQMWFEESA-N 2 1 223.364 1.999 20 30 BDEDMP CC[N@H+](CC[NH2+][C@H]1CC[C@H](C#N)C1)C(C)C ZINC000336773876 386328341 /nfs/dbraw/zinc/32/83/41/386328341.db2.gz WGYXVRIYBGOWIQ-STQMWFEESA-N 2 1 223.364 1.999 20 30 BDEDMP CC[N@@H+](CC[NH2+][C@H]1CC[C@H](C#N)C1)C(C)C ZINC000336773876 386328347 /nfs/dbraw/zinc/32/83/47/386328347.db2.gz WGYXVRIYBGOWIQ-STQMWFEESA-N 2 1 223.364 1.999 20 30 BDEDMP N#C[C@@H]1CC[C@H](N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000442712387 386536582 /nfs/dbraw/zinc/53/65/82/386536582.db2.gz GHLKKBIFKQMCMX-RFGFWPKPSA-N 2 1 233.359 1.895 20 30 BDEDMP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000442712387 386536599 /nfs/dbraw/zinc/53/65/99/386536599.db2.gz GHLKKBIFKQMCMX-RFGFWPKPSA-N 2 1 233.359 1.895 20 30 BDEDMP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000442712387 386536607 /nfs/dbraw/zinc/53/66/07/386536607.db2.gz GHLKKBIFKQMCMX-RFGFWPKPSA-N 2 1 233.359 1.895 20 30 BDEDMP C=CCC[C@H](CCC)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423486225 387331367 /nfs/dbraw/zinc/33/13/67/387331367.db2.gz BGDJKKMQAKJGEG-UONOGXRCSA-N 2 1 239.407 1.615 20 30 BDEDMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442724545 387830233 /nfs/dbraw/zinc/83/02/33/387830233.db2.gz ZPLBIIBCNKINFF-CHWSQXEVSA-N 2 1 239.363 1.237 20 30 BDEDMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCC#N ZINC000423026900 387842716 /nfs/dbraw/zinc/84/27/16/387842716.db2.gz CNYDWQJTBAYUMB-JSGCOSHPSA-N 2 1 231.343 1.838 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C1(C)CC1 ZINC000328087347 387864969 /nfs/dbraw/zinc/86/49/69/387864969.db2.gz HXDDBGBKYSBYCT-LBPRGKRZSA-N 2 1 208.349 1.720 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C1(C)CC1 ZINC000328087347 387864976 /nfs/dbraw/zinc/86/49/76/387864976.db2.gz HXDDBGBKYSBYCT-LBPRGKRZSA-N 2 1 208.349 1.720 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423156127 387934562 /nfs/dbraw/zinc/93/45/62/387934562.db2.gz RTFQZXFQFBBZKM-QCNOEVLYSA-N 2 1 210.321 1.060 20 30 BDEDMP C=CCC[C@@H](CO)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423165730 387947270 /nfs/dbraw/zinc/94/72/70/387947270.db2.gz UTSDGQPHKXZYSG-GRYCIOLGSA-N 2 1 212.337 1.044 20 30 BDEDMP C=CCn1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])nn1 ZINC000424372324 387997704 /nfs/dbraw/zinc/99/77/04/387997704.db2.gz GPAVGCJSQIKRBW-AAEUAGOBSA-N 2 1 249.362 1.071 20 30 BDEDMP C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CCC[NH2+]1 ZINC000424374795 387999890 /nfs/dbraw/zinc/99/98/90/387999890.db2.gz LRNOVISUDYEOBU-KXNHARMFSA-N 2 1 207.321 1.409 20 30 BDEDMP C=CCCCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000449245212 388161862 /nfs/dbraw/zinc/16/18/62/388161862.db2.gz ZFZPFGXNNDIEGK-ZIAGYGMSSA-N 2 1 240.391 1.778 20 30 BDEDMP C=CCCCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000449245212 388161864 /nfs/dbraw/zinc/16/18/64/388161864.db2.gz ZFZPFGXNNDIEGK-ZIAGYGMSSA-N 2 1 240.391 1.778 20 30 BDEDMP C#C[C@@H](C)[NH+](C)CCCC[N@H+](C)[C@@H](C)C#C ZINC000491699788 388312448 /nfs/dbraw/zinc/31/24/48/388312448.db2.gz JLKGFNWVLPHAIS-OKILXGFUSA-N 2 1 220.360 1.674 20 30 BDEDMP C#C[C@@H](C)[N@@H+](C)CCCC[NH+](C)[C@@H](C)C#C ZINC000491699788 388312449 /nfs/dbraw/zinc/31/24/49/388312449.db2.gz JLKGFNWVLPHAIS-OKILXGFUSA-N 2 1 220.360 1.674 20 30 BDEDMP C#C[C@@H](C)[N@H+](C)CCCC[NH+](C)[C@@H](C)C#C ZINC000491699788 388312450 /nfs/dbraw/zinc/31/24/50/388312450.db2.gz JLKGFNWVLPHAIS-OKILXGFUSA-N 2 1 220.360 1.674 20 30 BDEDMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000271868167 388409784 /nfs/dbraw/zinc/40/97/84/388409784.db2.gz WSAUEYULWQLKTA-UHFFFAOYSA-N 2 1 241.338 1.910 20 30 BDEDMP C=C(C)[C@H](CO)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000649287102 388543981 /nfs/dbraw/zinc/54/39/81/388543981.db2.gz BYTBOFXRIXTACY-STQMWFEESA-N 2 1 235.331 1.457 20 30 BDEDMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])ccc1C#N ZINC000423124305 388687914 /nfs/dbraw/zinc/68/79/14/388687914.db2.gz OEGWBCNYIUPSKO-QWHCGFSZSA-N 2 1 245.326 1.536 20 30 BDEDMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000423094606 388688125 /nfs/dbraw/zinc/68/81/25/388688125.db2.gz CCRNPCOGGQYYNJ-SWLSCSKDSA-N 2 1 243.354 1.688 20 30 BDEDMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000423094607 388688623 /nfs/dbraw/zinc/68/86/23/388688623.db2.gz CCRNPCOGGQYYNJ-WFASDCNBSA-N 2 1 243.354 1.688 20 30 BDEDMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000423455781 388692633 /nfs/dbraw/zinc/69/26/33/388692633.db2.gz CVQBWJPQTLAMRN-MFKMUULPSA-N 2 1 217.316 1.946 20 30 BDEDMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423482947 388693154 /nfs/dbraw/zinc/69/31/54/388693154.db2.gz XMQXHPKJTKCRDN-OCCSQVGLSA-N 2 1 229.327 1.872 20 30 BDEDMP CC#CC[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371204193 134227885 /nfs/dbraw/zinc/22/78/85/134227885.db2.gz GDYQWKLGJQTGDV-HNNXBMFYSA-N 2 1 249.402 1.110 20 30 BDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371204193 134227886 /nfs/dbraw/zinc/22/78/86/134227886.db2.gz GDYQWKLGJQTGDV-HNNXBMFYSA-N 2 1 249.402 1.110 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000305096488 134239469 /nfs/dbraw/zinc/23/94/69/134239469.db2.gz TYUCAMXOTIABQW-CQSZACIVSA-N 2 1 240.391 1.730 20 30 BDEDMP C=CCC[C@@H](O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000305096488 134239470 /nfs/dbraw/zinc/23/94/70/134239470.db2.gz TYUCAMXOTIABQW-CQSZACIVSA-N 2 1 240.391 1.730 20 30 BDEDMP CC#CC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000119986940 135067491 /nfs/dbraw/zinc/06/74/91/135067491.db2.gz DSFFFAPVIXFXKA-ZDUSSCGKSA-N 2 1 231.343 1.698 20 30 BDEDMP CC#CC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000119986940 135067493 /nfs/dbraw/zinc/06/74/93/135067493.db2.gz DSFFFAPVIXFXKA-ZDUSSCGKSA-N 2 1 231.343 1.698 20 30 BDEDMP C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261867317 135257967 /nfs/dbraw/zinc/25/79/67/135257967.db2.gz CTEFPMDYJZHJGX-DGAVXFQQSA-N 2 1 238.375 1.698 20 30 BDEDMP C[C@@H]1C[NH+]=C(NC[C@H]2[N@@H+](C)CCCC2(C)C)N1 ZINC000262679968 135312795 /nfs/dbraw/zinc/31/27/95/135312795.db2.gz VPZSPSNPDUCUSB-GHMZBOCLSA-N 2 1 238.379 1.044 20 30 BDEDMP C=C(C)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660653393 411613269 /nfs/dbraw/zinc/61/32/69/411613269.db2.gz QSOHYZDXALUERQ-CYBMUJFWSA-N 2 1 208.349 1.980 20 30 BDEDMP C=C(C)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660653393 411613271 /nfs/dbraw/zinc/61/32/71/411613271.db2.gz QSOHYZDXALUERQ-CYBMUJFWSA-N 2 1 208.349 1.980 20 30 BDEDMP C=C(C)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660653393 411613272 /nfs/dbraw/zinc/61/32/72/411613272.db2.gz QSOHYZDXALUERQ-CYBMUJFWSA-N 2 1 208.349 1.980 20 30 BDEDMP C=CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000661759988 411871342 /nfs/dbraw/zinc/87/13/42/411871342.db2.gz NNSPTTOCWCGJCI-ZDUSSCGKSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000661759988 411871346 /nfs/dbraw/zinc/87/13/46/411871346.db2.gz NNSPTTOCWCGJCI-ZDUSSCGKSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000661759988 411871350 /nfs/dbraw/zinc/87/13/50/411871350.db2.gz NNSPTTOCWCGJCI-ZDUSSCGKSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000661759988 411871353 /nfs/dbraw/zinc/87/13/53/411871353.db2.gz NNSPTTOCWCGJCI-ZDUSSCGKSA-N 2 1 240.391 1.728 20 30 BDEDMP C=CC[N@@H+](CCC[NH2+]C)[C@@H](C)COC ZINC000662298809 412087720 /nfs/dbraw/zinc/08/77/20/412087720.db2.gz HFQKLDNEVVLCFQ-NSHDSACASA-N 2 1 200.326 1.119 20 30 BDEDMP C=CC[N@H+](CCC[NH2+]C)[C@@H](C)COC ZINC000662298809 412087725 /nfs/dbraw/zinc/08/77/25/412087725.db2.gz HFQKLDNEVVLCFQ-NSHDSACASA-N 2 1 200.326 1.119 20 30 BDEDMP C=CCOCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000665262924 412205888 /nfs/dbraw/zinc/20/58/88/412205888.db2.gz CBQMEQGQGATORV-RYUDHWBXSA-N 2 1 212.337 1.167 20 30 BDEDMP C=CC[C@@H](CO)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459460167 324147180 /nfs/dbraw/zinc/14/71/80/324147180.db2.gz IWCMBIRFINJCSO-GFCCVEGCSA-N 2 1 238.375 1.387 20 30 BDEDMP C=CCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658115327 487547792 /nfs/dbraw/zinc/54/77/92/487547792.db2.gz UREZNSODACRSQL-CQSZACIVSA-N 2 1 238.375 1.796 20 30 BDEDMP C=CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CC1 ZINC000121055512 534798064 /nfs/dbraw/zinc/79/80/64/534798064.db2.gz BDERWNGYUCSGLS-CHWSQXEVSA-N 2 1 226.364 1.243 20 30 BDEDMP C=CC[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261668902 534854167 /nfs/dbraw/zinc/85/41/67/534854167.db2.gz HOWLFOHIWWQALG-KGLIPLIRSA-N 2 1 216.328 1.847 20 30 BDEDMP C=CCOCC[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000339010291 534879509 /nfs/dbraw/zinc/87/95/09/534879509.db2.gz JJFKOYIOYYKAPH-AWEZNQCLSA-N 2 1 240.391 1.853 20 30 BDEDMP C=CCOCC[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000339010291 534879510 /nfs/dbraw/zinc/87/95/10/534879510.db2.gz JJFKOYIOYYKAPH-AWEZNQCLSA-N 2 1 240.391 1.853 20 30 BDEDMP C=CCOCC[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000339010291 534879512 /nfs/dbraw/zinc/87/95/12/534879512.db2.gz JJFKOYIOYYKAPH-AWEZNQCLSA-N 2 1 240.391 1.853 20 30 BDEDMP C=CCCOCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400523824 527367716 /nfs/dbraw/zinc/36/77/16/527367716.db2.gz PGCCLUWLHMQPQA-RYUDHWBXSA-N 2 1 212.337 1.309 20 30 BDEDMP CCNC(NCCCn1cc[nH+]c1C)=[NH+]CC ZINC000264075493 535786660 /nfs/dbraw/zinc/78/66/60/535786660.db2.gz FLHJSQZPDCBCGS-UHFFFAOYSA-N 2 1 237.351 1.157 20 30 BDEDMP C#CC[N@H+](CC#CC)CC1CC[NH+](C)CC1 ZINC000892069208 582784049 /nfs/dbraw/zinc/78/40/49/582784049.db2.gz ZYBOSUIMULQYCF-UHFFFAOYSA-N 2 1 218.344 1.287 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](C)CCC#N ZINC000894863083 583536334 /nfs/dbraw/zinc/53/63/34/583536334.db2.gz OJNFJCBVOZSZRN-CYBMUJFWSA-N 2 1 221.348 1.471 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](C)CCC#N ZINC000894863083 583536333 /nfs/dbraw/zinc/53/63/33/583536333.db2.gz OJNFJCBVOZSZRN-CYBMUJFWSA-N 2 1 221.348 1.471 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C1CC2(CCC2)C1 ZINC000894863552 583536242 /nfs/dbraw/zinc/53/62/42/583536242.db2.gz HZQMROWQWJWRJM-UHFFFAOYSA-N 2 1 220.360 1.864 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CC2(CCC2)C1 ZINC000894863552 583536243 /nfs/dbraw/zinc/53/62/43/583536243.db2.gz HZQMROWQWJWRJM-UHFFFAOYSA-N 2 1 220.360 1.864 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](C)CCC#N ZINC000894863084 583536393 /nfs/dbraw/zinc/53/63/93/583536393.db2.gz OJNFJCBVOZSZRN-ZDUSSCGKSA-N 2 1 221.348 1.471 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](C)CCC#N ZINC000894863084 583536395 /nfs/dbraw/zinc/53/63/95/583536395.db2.gz OJNFJCBVOZSZRN-ZDUSSCGKSA-N 2 1 221.348 1.471 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C)cc1O ZINC000894863807 583536506 /nfs/dbraw/zinc/53/65/06/583536506.db2.gz UJHBBIPMZFCCNO-UHFFFAOYSA-N 2 1 246.354 1.745 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C)cc1O ZINC000894863807 583536509 /nfs/dbraw/zinc/53/65/09/583536509.db2.gz UJHBBIPMZFCCNO-UHFFFAOYSA-N 2 1 246.354 1.745 20 30 BDEDMP CC1(C#N)CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000335064898 583605191 /nfs/dbraw/zinc/60/51/91/583605191.db2.gz XLGGSIKBSFHNKW-OTTFEQOBSA-N 2 1 221.348 1.800 20 30 BDEDMP C#CCC[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000760841756 585398671 /nfs/dbraw/zinc/39/86/71/585398671.db2.gz RXDNXZBFIGQTAT-CYBMUJFWSA-N 2 1 208.349 1.673 20 30 BDEDMP C#CCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000760842303 585399155 /nfs/dbraw/zinc/39/91/55/585399155.db2.gz GEZSKXZGAOPGCC-CHWSQXEVSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000760842303 585399156 /nfs/dbraw/zinc/39/91/56/585399156.db2.gz GEZSKXZGAOPGCC-CHWSQXEVSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000760842303 585399157 /nfs/dbraw/zinc/39/91/57/585399157.db2.gz GEZSKXZGAOPGCC-CHWSQXEVSA-N 2 1 208.349 1.814 20 30 BDEDMP CC[N@H+](C)C[C@H]1CC[NH+](CCO[C@@H](C)C#N)C1 ZINC000801924812 586277636 /nfs/dbraw/zinc/27/76/36/586277636.db2.gz VJWZPFHEULKCBH-QWHCGFSZSA-N 2 1 239.363 1.189 20 30 BDEDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCO[C@@H](C)C#N)C1 ZINC000801924812 586277638 /nfs/dbraw/zinc/27/76/38/586277638.db2.gz VJWZPFHEULKCBH-QWHCGFSZSA-N 2 1 239.363 1.189 20 30 BDEDMP CC[NH+](C)C[C@H]1CC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000801924812 586277640 /nfs/dbraw/zinc/27/76/40/586277640.db2.gz VJWZPFHEULKCBH-QWHCGFSZSA-N 2 1 239.363 1.189 20 30 BDEDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCO[C@@H](C)C#N)C1 ZINC000801924812 586277642 /nfs/dbraw/zinc/27/76/42/586277642.db2.gz VJWZPFHEULKCBH-QWHCGFSZSA-N 2 1 239.363 1.189 20 30 BDEDMP C#CCCC[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000808781426 586489485 /nfs/dbraw/zinc/48/94/85/586489485.db2.gz FPJBHWFLJSNWRT-UHFFFAOYSA-N 2 1 239.407 1.215 20 30 BDEDMP C#CCC[N@@H+](CCOC)CC[C@H]1CCC[NH+]1C ZINC000852750631 588700115 /nfs/dbraw/zinc/70/01/15/588700115.db2.gz ANFSKSZPPAXYGE-CQSZACIVSA-N 2 1 238.375 1.442 20 30 BDEDMP C#CCC[N@H+](CCOC)CC[C@H]1CCC[NH+]1C ZINC000852750631 588700116 /nfs/dbraw/zinc/70/01/16/588700116.db2.gz ANFSKSZPPAXYGE-CQSZACIVSA-N 2 1 238.375 1.442 20 30 BDEDMP C#CCC[NH+](CCOC)CC[C@H]1CCC[N@@H+]1C ZINC000852750631 588700117 /nfs/dbraw/zinc/70/01/17/588700117.db2.gz ANFSKSZPPAXYGE-CQSZACIVSA-N 2 1 238.375 1.442 20 30 BDEDMP C#CCC[NH+](CCOC)CC[C@H]1CCC[N@H+]1C ZINC000852750631 588700118 /nfs/dbraw/zinc/70/01/18/588700118.db2.gz ANFSKSZPPAXYGE-CQSZACIVSA-N 2 1 238.375 1.442 20 30 BDEDMP C=CC[C@@H](C)[N@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000878865858 590635250 /nfs/dbraw/zinc/63/52/50/590635250.db2.gz OKMAEZSWLSINDF-OLZOCXBDSA-N 2 1 226.364 1.340 20 30 BDEDMP C=CC[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878865858 590635255 /nfs/dbraw/zinc/63/52/55/590635255.db2.gz OKMAEZSWLSINDF-OLZOCXBDSA-N 2 1 226.364 1.340 20 30 BDEDMP C=CC[C@@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878865858 590635257 /nfs/dbraw/zinc/63/52/57/590635257.db2.gz OKMAEZSWLSINDF-OLZOCXBDSA-N 2 1 226.364 1.340 20 30 BDEDMP CC#CC[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879125240 590699168 /nfs/dbraw/zinc/69/91/68/590699168.db2.gz VEIONPBZYGDDHY-UHFFFAOYSA-N 2 1 238.375 1.300 20 30 BDEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579783 590818583 /nfs/dbraw/zinc/81/85/83/590818583.db2.gz AZSDEZDSVCOXQG-QWHCGFSZSA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579783 590818586 /nfs/dbraw/zinc/81/85/86/590818586.db2.gz AZSDEZDSVCOXQG-QWHCGFSZSA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579783 590818589 /nfs/dbraw/zinc/81/85/89/590818589.db2.gz AZSDEZDSVCOXQG-QWHCGFSZSA-N 2 1 208.349 1.979 20 30 BDEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579783 590818593 /nfs/dbraw/zinc/81/85/93/590818593.db2.gz AZSDEZDSVCOXQG-QWHCGFSZSA-N 2 1 208.349 1.979 20 30 BDEDMP C=CC[C@@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000883433974 591664151 /nfs/dbraw/zinc/66/41/51/591664151.db2.gz DDWWXHVJNKHVTG-KGYLQXTDSA-N 2 1 234.347 1.111 20 30 BDEDMP C=CC[C@@H](C)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000883433974 591664154 /nfs/dbraw/zinc/66/41/54/591664154.db2.gz DDWWXHVJNKHVTG-KGYLQXTDSA-N 2 1 234.347 1.111 20 30 BDEDMP CC(C)NC(=[NH2+])NCC[N@H+]1CCC[C@@H](C)C1 ZINC000104168251 592602588 /nfs/dbraw/zinc/60/25/88/592602588.db2.gz VTFPUSYLCNWFAW-LLVKDONJSA-N 2 1 226.368 1.031 20 30 BDEDMP C=CC[N@@H+](CCOC)C[C@@]1(C)CCC[NH2+]C1 ZINC000234685788 631660551 /nfs/dbraw/zinc/66/05/51/631660551.db2.gz SGRRUWNTDVRZAZ-ZDUSSCGKSA-N 2 1 226.364 1.511 20 30 BDEDMP C=CC[N@H+](CCOC)C[C@@]1(C)CCC[NH2+]C1 ZINC000234685788 631660554 /nfs/dbraw/zinc/66/05/54/631660554.db2.gz SGRRUWNTDVRZAZ-ZDUSSCGKSA-N 2 1 226.364 1.511 20 30 BDEDMP CCC[N@@H+](CC)CC[NH+]=C(N(C)C)N(C)C ZINC000176969008 632673292 /nfs/dbraw/zinc/67/32/92/632673292.db2.gz JPBSBJVFEVMWFM-UHFFFAOYSA-N 2 1 228.384 1.198 20 30 BDEDMP CC(C)(CC#N)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925693958 634332248 /nfs/dbraw/zinc/33/22/48/634332248.db2.gz NRYHUYVVFBJYQP-OBPIAQAESA-N 2 1 233.359 1.512 20 30 BDEDMP CC1(C)C[N@H+](CC2CCC(C#N)CC2)C[C@H]1[NH3+] ZINC000903559889 637369320 /nfs/dbraw/zinc/36/93/20/637369320.db2.gz LSLFCEGTGCVGTR-WXRRBKDZSA-N 2 1 235.375 1.985 20 30 BDEDMP CC1(C)C[N@@H+](CC2CCC(C#N)CC2)C[C@H]1[NH3+] ZINC000903559889 637369323 /nfs/dbraw/zinc/36/93/23/637369323.db2.gz LSLFCEGTGCVGTR-WXRRBKDZSA-N 2 1 235.375 1.985 20 30 BDEDMP C=CCC[C@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931350921 640167344 /nfs/dbraw/zinc/16/73/44/640167344.db2.gz CRHRDKALAIYIGG-ZDUSSCGKSA-N 2 1 240.391 1.730 20 30 BDEDMP C#CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC000932461510 640531758 /nfs/dbraw/zinc/53/17/58/640531758.db2.gz DRCIYQASKOVBNJ-CYBMUJFWSA-N 2 1 240.391 1.421 20 30 BDEDMP C#CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C(C)(C)C ZINC000932461510 640531764 /nfs/dbraw/zinc/53/17/64/640531764.db2.gz DRCIYQASKOVBNJ-CYBMUJFWSA-N 2 1 240.391 1.421 20 30 BDEDMP C#CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C(C)(C)C ZINC000932461510 640531769 /nfs/dbraw/zinc/53/17/69/640531769.db2.gz DRCIYQASKOVBNJ-CYBMUJFWSA-N 2 1 240.391 1.421 20 30 BDEDMP C#CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C(C)(C)C ZINC000932461510 640531774 /nfs/dbraw/zinc/53/17/74/640531774.db2.gz DRCIYQASKOVBNJ-CYBMUJFWSA-N 2 1 240.391 1.421 20 30 BDEDMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])N(C)C2CC2)C1 ZINC000305823593 642703433 /nfs/dbraw/zinc/70/34/33/642703433.db2.gz QAAROLXOGZXJDS-LLVKDONJSA-N 2 1 238.379 1.127 20 30 BDEDMP CCCCNC(=[NH2+])NCC[N@@H+](CC)CCC ZINC000083052919 643404381 /nfs/dbraw/zinc/40/43/81/643404381.db2.gz BFIDVPAXMJPXJV-UHFFFAOYSA-N 2 1 228.384 1.423 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000923280589 644314349 /nfs/dbraw/zinc/31/43/49/644314349.db2.gz BURLHOFDNDEWOL-STQMWFEESA-N 2 1 226.364 1.245 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923281572 644315915 /nfs/dbraw/zinc/31/59/15/644315915.db2.gz NDWJPPOZOZWRPH-AWEZNQCLSA-N 2 1 238.375 1.530 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000923352831 644370557 /nfs/dbraw/zinc/37/05/57/644370557.db2.gz FUWJXMXTIIIZDY-QWHCGFSZSA-N 2 1 226.364 1.517 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000923383593 644396709 /nfs/dbraw/zinc/39/67/09/644396709.db2.gz UMKUGIQANBENNY-RFGFWPKPSA-N 2 1 240.391 1.619 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000923423263 644419042 /nfs/dbraw/zinc/41/90/42/644419042.db2.gz KOCQJQXNGXVZDM-XUXIUFHCSA-N 2 1 240.391 1.761 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000923423263 644419049 /nfs/dbraw/zinc/41/90/49/644419049.db2.gz KOCQJQXNGXVZDM-XUXIUFHCSA-N 2 1 240.391 1.761 20 30 BDEDMP C=CCC[C@H](O)C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000923423409 644420066 /nfs/dbraw/zinc/42/00/66/644420066.db2.gz QRXWAAWSHXCGMX-ZDUSSCGKSA-N 2 1 240.391 1.907 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923494473 644470959 /nfs/dbraw/zinc/47/09/59/644470959.db2.gz XWDBSRJORVDEJR-AGIUHOORSA-N 2 1 226.364 1.230 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1C[NH3+] ZINC000923497987 644474279 /nfs/dbraw/zinc/47/42/79/644474279.db2.gz HEQNQZLPFSAJKB-IUODEOHRSA-N 2 1 243.354 1.975 20 30 BDEDMP CNC(NCCCC[N@H+]1CCC[C@H](C)C1)=[NH+]C ZINC000303263282 644813911 /nfs/dbraw/zinc/81/39/11/644813911.db2.gz QVEAAENOXSAYET-LBPRGKRZSA-N 2 1 240.395 1.293 20 30 BDEDMP CC(C)CCNC(=[NH2+])NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000303974616 644861125 /nfs/dbraw/zinc/86/11/25/644861125.db2.gz ICLUJRMBSYQKEQ-LLVKDONJSA-N 2 1 240.395 1.420 20 30 BDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252856093 644917306 /nfs/dbraw/zinc/91/73/06/644917306.db2.gz KPLGPMPVLRHDEK-GARJFASQSA-N 2 1 214.740 1.798 20 30 BDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252856093 644917311 /nfs/dbraw/zinc/91/73/11/644917311.db2.gz KPLGPMPVLRHDEK-GARJFASQSA-N 2 1 214.740 1.798 20 30 BDEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NC(C)(C)C ZINC000304742237 644929476 /nfs/dbraw/zinc/92/94/76/644929476.db2.gz COLSNOJSNMPGDV-LLVKDONJSA-N 2 1 240.395 1.564 20 30 BDEDMP C=C(Cl)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000852749315 645486979 /nfs/dbraw/zinc/48/69/79/645486979.db2.gz KJCJFEMFXUIMSU-NSHDSACASA-N 2 1 244.766 1.426 20 30 BDEDMP C=C(Cl)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000852749315 645486988 /nfs/dbraw/zinc/48/69/88/645486988.db2.gz KJCJFEMFXUIMSU-NSHDSACASA-N 2 1 244.766 1.426 20 30 BDEDMP C=CCC[C@H](CO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925694486 646420620 /nfs/dbraw/zinc/42/06/20/646420620.db2.gz TWHRTBWMVYERDF-NEPJUHHUSA-N 2 1 224.348 1.188 20 30 BDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925696639 646422159 /nfs/dbraw/zinc/42/21/59/646422159.db2.gz YDEMPRMWRQKCPZ-AGIUHOORSA-N 2 1 236.359 1.594 20 30 BDEDMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000925710819 646436891 /nfs/dbraw/zinc/43/68/91/646436891.db2.gz WMNTVGQOJZWODP-NNYUYHANSA-N 2 1 207.321 1.409 20 30 BDEDMP C#CC[C@H](COC)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000716853501 712578607 /nfs/dbraw/zinc/57/86/07/712578607.db2.gz AGSFFHGJIXVZNT-MJBXVCDLSA-N 2 1 236.359 1.241 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000328129111 711689959 /nfs/dbraw/zinc/68/99/59/711689959.db2.gz VQKWDXLURXZQTG-KBPBESRZSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000328129111 711689958 /nfs/dbraw/zinc/68/99/58/711689958.db2.gz VQKWDXLURXZQTG-KBPBESRZSA-N 2 1 238.375 1.489 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccnc(C)c1 ZINC000703442488 712075155 /nfs/dbraw/zinc/07/51/55/712075155.db2.gz ZZEZBJKRBPXOTM-UHFFFAOYSA-N 2 1 231.343 1.435 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccnc(C)c1 ZINC000703442488 712075157 /nfs/dbraw/zinc/07/51/57/712075157.db2.gz ZZEZBJKRBPXOTM-UHFFFAOYSA-N 2 1 231.343 1.435 20 30 BDEDMP C=C[C@](C)(O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001252574001 968826048 /nfs/dbraw/zinc/82/60/48/968826048.db2.gz KEZYUWRVTOXVQC-RNJOBUHISA-N 2 1 224.348 1.138 20 30 BDEDMP C#CCCC[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209268903 969418872 /nfs/dbraw/zinc/41/88/72/969418872.db2.gz AJDKCCNBPWVGAX-CHWSQXEVSA-N 2 1 206.333 1.283 20 30 BDEDMP CC[NH+]1CCC([NH2+]C2CC(C#N)C2)CC1 ZINC001169241897 969527190 /nfs/dbraw/zinc/52/71/90/969527190.db2.gz SIZHANJPEHLSRV-UHFFFAOYSA-N 2 1 207.321 1.362 20 30 BDEDMP C=C(C)C(=O)OCC[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254502352 969668158 /nfs/dbraw/zinc/66/81/58/969668158.db2.gz DCXCEAOVBXQFOD-LBPRGKRZSA-N 2 1 240.347 1.180 20 30 BDEDMP C[N@H+]1CCC[C@@H]([NH2+]C2CC(C#N)C2)CC1 ZINC001254513089 969682192 /nfs/dbraw/zinc/68/21/92/969682192.db2.gz WUZWJJNBBUFCCN-MOENNCHZSA-N 2 1 207.321 1.362 20 30 BDEDMP C[N@H+]1CC[C@@H](NC(=[NH2+])c2ccc(Cl)cn2)C1 ZINC001255416341 970139364 /nfs/dbraw/zinc/13/93/64/970139364.db2.gz ZPRSDTWPLPKQCN-SECBINFHSA-N 2 1 238.722 1.144 20 30 BDEDMP C#C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256628397 970892928 /nfs/dbraw/zinc/89/29/28/970892928.db2.gz FERHTDZTIJYSPX-JKXDFHQYSA-N 2 1 232.371 1.957 20 30 BDEDMP C#C[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256628397 970892932 /nfs/dbraw/zinc/89/29/32/970892932.db2.gz FERHTDZTIJYSPX-JKXDFHQYSA-N 2 1 232.371 1.957 20 30 BDEDMP C#C[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256628397 970892940 /nfs/dbraw/zinc/89/29/40/970892940.db2.gz FERHTDZTIJYSPX-JKXDFHQYSA-N 2 1 232.371 1.957 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000689825937 958340089 /nfs/dbraw/zinc/34/00/89/958340089.db2.gz BENUFGHDEWDLAW-ZIAGYGMSSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000689825937 958340103 /nfs/dbraw/zinc/34/01/03/958340103.db2.gz BENUFGHDEWDLAW-ZIAGYGMSSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961983 962895189 /nfs/dbraw/zinc/89/51/89/962895189.db2.gz RLUJXRLQAXXTLM-AGUYFDCRSA-N 2 1 218.344 1.615 20 30 BDEDMP C#CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961983 962895199 /nfs/dbraw/zinc/89/51/99/962895199.db2.gz RLUJXRLQAXXTLM-AGUYFDCRSA-N 2 1 218.344 1.615 20 30 BDEDMP C=CC[N@@H+]1CCC[C@H]1CNc1cc(N)cc[nH+]1 ZINC001160952052 964456673 /nfs/dbraw/zinc/45/66/73/964456673.db2.gz PKVQQDDNZNZNPR-LBPRGKRZSA-N 2 1 232.331 1.726 20 30 BDEDMP C[N@H+](Cc1ccc(C#N)cc1)CC1CC[NH2+]CC1 ZINC000094010933 965364213 /nfs/dbraw/zinc/36/42/13/965364213.db2.gz AJHLNVXSQJZHQV-UHFFFAOYSA-N 2 1 243.354 1.990 20 30 BDEDMP Cn1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1C#N ZINC001205094246 965727077 /nfs/dbraw/zinc/72/70/77/965727077.db2.gz KNRBKBARGDMFHI-LBPRGKRZSA-N 2 1 232.331 1.210 20 30 BDEDMP Cn1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1C#N ZINC001205094246 965727083 /nfs/dbraw/zinc/72/70/83/965727083.db2.gz KNRBKBARGDMFHI-LBPRGKRZSA-N 2 1 232.331 1.210 20 30 BDEDMP N#Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC001205109751 967351741 /nfs/dbraw/zinc/35/17/41/967351741.db2.gz LDSQCHKQJXTKDQ-GFCCVEGCSA-N 2 1 230.315 1.266 20 30 BDEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC001205109751 967351754 /nfs/dbraw/zinc/35/17/54/967351754.db2.gz LDSQCHKQJXTKDQ-GFCCVEGCSA-N 2 1 230.315 1.266 20 30 BDEDMP C#Cc1cccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205110466 967357475 /nfs/dbraw/zinc/35/74/75/967357475.db2.gz SUGUWPFBHADVHO-HNNXBMFYSA-N 2 1 228.339 1.981 20 30 BDEDMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(C#N)nc2)CC1 ZINC001205274053 967468407 /nfs/dbraw/zinc/46/84/07/967468407.db2.gz SPMRODMHJBYCTF-AWEZNQCLSA-N 2 1 244.342 1.657 20 30 BDEDMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(C#N)nc2)CC1 ZINC001205274053 967468415 /nfs/dbraw/zinc/46/84/15/967468415.db2.gz SPMRODMHJBYCTF-AWEZNQCLSA-N 2 1 244.342 1.657 20 30 BDEDMP C#CCCC[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205984614 967935106 /nfs/dbraw/zinc/93/51/06/967935106.db2.gz SNZLTWXLRQFZEV-QWHCGFSZSA-N 2 1 208.349 1.707 20 30 BDEDMP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC[NH2+]CC1 ZINC001207439678 968775671 /nfs/dbraw/zinc/77/56/71/968775671.db2.gz ZMTCBUQCARMJNT-ZSOGYDGISA-N 2 1 233.359 1.753 20 30 BDEDMP C=C[C@H](O)C[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001253598670 969291169 /nfs/dbraw/zinc/29/11/69/969291169.db2.gz WERNCHZQDQKPLQ-LSDHHAIUSA-N 2 1 248.370 1.816 20 30 BDEDMP C=C(C)C[N@@H+](CC)Cc1c[nH+]ccc1N ZINC001209729933 969586621 /nfs/dbraw/zinc/58/66/21/969586621.db2.gz BMTYSPOKHCOBMQ-UHFFFAOYSA-N 2 1 205.305 1.892 20 30 BDEDMP C=C(C)C[N@H+](CC)Cc1c[nH+]ccc1N ZINC001209729933 969586625 /nfs/dbraw/zinc/58/66/25/969586625.db2.gz BMTYSPOKHCOBMQ-UHFFFAOYSA-N 2 1 205.305 1.892 20 30 BDEDMP C[N@H+]1CCC[C@@H]([NH2+]CCCS)CC1 ZINC001254507056 969653896 /nfs/dbraw/zinc/65/38/96/969653896.db2.gz DXLYOPXKSFBKIV-SNVBAGLBSA-N 2 1 202.367 1.380 20 30 BDEDMP N#C[C@@H]1CC[C@@H](n2c[nH+]cc2CC[NH3+])C1 ZINC001254634497 969751264 /nfs/dbraw/zinc/75/12/64/969751264.db2.gz GXYDCIZNYUEGPA-NXEZZACHSA-N 2 1 204.277 1.249 20 30 BDEDMP C[N@@H+]1CCC[C@@H](NC(=[NH2+])c2ccc(C#N)cc2)C1 ZINC001255471334 970197611 /nfs/dbraw/zinc/19/76/11/970197611.db2.gz XDTNMVPVBAWKIV-CYBMUJFWSA-N 2 1 242.326 1.358 20 30 BDEDMP C[N@H+]1CCC[C@@H](NC(=[NH2+])c2ccc(C#N)cc2)C1 ZINC001255471334 970197616 /nfs/dbraw/zinc/19/76/16/970197616.db2.gz XDTNMVPVBAWKIV-CYBMUJFWSA-N 2 1 242.326 1.358 20 30 BDEDMP C[NH+]1CCC([NH+]2CCC(S)CC2)CC1 ZINC001256208280 970709475 /nfs/dbraw/zinc/70/94/75/970709475.db2.gz CFLXWOSCMJYERM-UHFFFAOYSA-N 2 1 214.378 1.475 20 30 BDEDMP C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCC[C@@H]1C[NH3+] ZINC001246567419 972817020 /nfs/dbraw/zinc/81/70/20/972817020.db2.gz KUVKVLQHVPBKAF-AAVRWANBSA-N 2 1 235.375 1.985 20 30 BDEDMP N#CC[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246798287 973099777 /nfs/dbraw/zinc/09/97/77/973099777.db2.gz QSTIIXMJPLWVHZ-HABKJSAYSA-N 2 1 233.359 1.895 20 30 BDEDMP C=C(C)CC[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146727704 973237420 /nfs/dbraw/zinc/23/74/20/973237420.db2.gz LXHXVVUYWWHJAM-UHFFFAOYSA-N 2 1 241.379 1.000 20 30 BDEDMP C#CC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171614353 974114574 /nfs/dbraw/zinc/11/45/74/974114574.db2.gz YHVOPELNRMFIGZ-UHFFFAOYSA-N 2 1 208.349 1.861 20 30 BDEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC(CC#N)C1)C2 ZINC001172113629 974382087 /nfs/dbraw/zinc/38/20/87/974382087.db2.gz LDMOZHYYPDIQCP-WDNDVIMCSA-N 2 1 233.359 1.847 20 30 BDEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC(CC#N)C1)C2 ZINC001172113629 974382095 /nfs/dbraw/zinc/38/20/95/974382095.db2.gz LDMOZHYYPDIQCP-WDNDVIMCSA-N 2 1 233.359 1.847 20 30 BDEDMP C=C[C@@H](COC)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC001331518482 974746662 /nfs/dbraw/zinc/74/66/62/974746662.db2.gz IKZASEMHVUGGHH-RYUDHWBXSA-N 2 1 226.364 1.650 20 30 BDEDMP C=C[C@@H](COC)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001331518482 974746666 /nfs/dbraw/zinc/74/66/66/974746666.db2.gz IKZASEMHVUGGHH-RYUDHWBXSA-N 2 1 226.364 1.650 20 30 BDEDMP CCCCCCC[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234972583 978938289 /nfs/dbraw/zinc/93/82/89/978938289.db2.gz ZMQNMCRCSFOVCN-ZIAGYGMSSA-N 2 1 240.391 1.877 20 30 BDEDMP C=CCNCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205604016 981174325 /nfs/dbraw/zinc/17/43/25/981174325.db2.gz UDQBGPRCMQRYJB-STQMWFEESA-N 2 1 225.380 1.069 20 30 BDEDMP C=CCNCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205604016 981174327 /nfs/dbraw/zinc/17/43/27/981174327.db2.gz UDQBGPRCMQRYJB-STQMWFEESA-N 2 1 225.380 1.069 20 30 BDEDMP C[C@H]([NH2+]Cc1cc(C#N)ccn1)[C@@H]1CCC[NH2+]C1 ZINC001576243321 984160225 /nfs/dbraw/zinc/16/02/25/984160225.db2.gz AAWKCLCOGMSNPA-WCQYABFASA-N 2 1 244.342 1.431 20 30 BDEDMP C=CCC[C@H](C)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001258720182 986048661 /nfs/dbraw/zinc/04/86/61/986048661.db2.gz TZCKDFMMYNUSEI-AWEZNQCLSA-N 2 1 239.407 1.568 20 30 BDEDMP Cn1ncc(C[NH3+])c1C[NH+]1CCC(C)(C#N)CC1 ZINC001580002198 986399212 /nfs/dbraw/zinc/39/92/12/986399212.db2.gz JHFMPSUXIKWYRV-UHFFFAOYSA-N 2 1 247.346 1.004 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000689410690 986585172 /nfs/dbraw/zinc/58/51/72/986585172.db2.gz JKVZSPZPQHUHEO-QWHCGFSZSA-N 2 1 240.416 1.815 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000689410690 986585188 /nfs/dbraw/zinc/58/51/88/986585188.db2.gz JKVZSPZPQHUHEO-QWHCGFSZSA-N 2 1 240.416 1.815 20 30 BDEDMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC001254671663 986719174 /nfs/dbraw/zinc/71/91/74/986719174.db2.gz SQMGMLGRDGVWOS-RVMXOQNASA-N 2 1 219.332 1.172 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC001254671663 986719183 /nfs/dbraw/zinc/71/91/83/986719183.db2.gz SQMGMLGRDGVWOS-RVMXOQNASA-N 2 1 219.332 1.172 20 30 BDEDMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC001254671663 986719190 /nfs/dbraw/zinc/71/91/90/986719190.db2.gz SQMGMLGRDGVWOS-RVMXOQNASA-N 2 1 219.332 1.172 20 30 BDEDMP C=CCC[C@H](O)C[NH2+][C@H]1CCCC[NH2+]C1 ZINC001245995083 987275672 /nfs/dbraw/zinc/27/56/72/987275672.db2.gz SMLCTDLUFWUGRH-RYUDHWBXSA-N 2 1 212.337 1.045 20 30 BDEDMP C=CCC[C@H](O)C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001245995081 987281353 /nfs/dbraw/zinc/28/13/53/987281353.db2.gz SMLCTDLUFWUGRH-NEPJUHHUSA-N 2 1 212.337 1.045 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246018333 987301327 /nfs/dbraw/zinc/30/13/27/987301327.db2.gz AVXRTLOKOOMUSP-ZIAGYGMSSA-N 2 1 240.391 1.764 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246017605 987301447 /nfs/dbraw/zinc/30/14/47/987301447.db2.gz RYCSTMLHJVFSRQ-NEPJUHHUSA-N 2 1 212.337 1.127 20 30 BDEDMP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246205359 987602588 /nfs/dbraw/zinc/60/25/88/987602588.db2.gz MWGMNINHFZATOB-TUAOUCFPSA-N 2 1 207.321 1.410 20 30 BDEDMP C[C@H]1CC[C@H]([NH2+]CC(C)(C)S)C[NH2+]1 ZINC001246292522 987685909 /nfs/dbraw/zinc/68/59/09/987685909.db2.gz XDGMAKIEVKZDIS-IUCAKERBSA-N 2 1 202.367 1.425 20 30 BDEDMP C=CC[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246364934 987770258 /nfs/dbraw/zinc/77/02/58/987770258.db2.gz VKACSUJLFXVTHB-IHRRRGAJSA-N 2 1 237.391 1.367 20 30 BDEDMP C=CCN1CCC[C@H]1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246364934 987770264 /nfs/dbraw/zinc/77/02/64/987770264.db2.gz VKACSUJLFXVTHB-IHRRRGAJSA-N 2 1 237.391 1.367 20 30 BDEDMP N#Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC001246393719 987779052 /nfs/dbraw/zinc/77/90/52/987779052.db2.gz HJJGKLPXWPBPEF-FOSCPWQOSA-N 2 1 247.367 1.992 20 30 BDEDMP C[C@H]1C[C@H]([NH2+]Cc2csc(C#N)c2)CC[NH2+]1 ZINC001246398458 987783420 /nfs/dbraw/zinc/78/34/20/987783420.db2.gz VTDWDRNABLLNDU-GXSJLCMTSA-N 2 1 235.356 1.850 20 30 BDEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246542774 987907583 /nfs/dbraw/zinc/90/75/83/987907583.db2.gz KZKDPSDDDNBXQQ-CHWSQXEVSA-N 2 1 226.364 1.517 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001246609027 988233244 /nfs/dbraw/zinc/23/32/44/988233244.db2.gz KNQZPKMGECGEPF-HZSPNIEDSA-N 2 1 233.359 1.897 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001246609027 988233274 /nfs/dbraw/zinc/23/32/74/988233274.db2.gz KNQZPKMGECGEPF-HZSPNIEDSA-N 2 1 233.359 1.897 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@]23CCC[NH2+]C3)C1 ZINC001246609043 988233830 /nfs/dbraw/zinc/23/38/30/988233830.db2.gz KNQZPKMGECGEPF-MCIONIFRSA-N 2 1 233.359 1.897 20 30 BDEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@]23CCC[NH2+]C3)C1 ZINC001246609043 988233849 /nfs/dbraw/zinc/23/38/49/988233849.db2.gz KNQZPKMGECGEPF-MCIONIFRSA-N 2 1 233.359 1.897 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246635063 988329197 /nfs/dbraw/zinc/32/91/97/988329197.db2.gz PZAZJCKMKXZXED-NOOOWODRSA-N 2 1 205.305 1.115 20 30 BDEDMP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246635063 988329214 /nfs/dbraw/zinc/32/92/14/988329214.db2.gz PZAZJCKMKXZXED-NOOOWODRSA-N 2 1 205.305 1.115 20 30 BDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246859614 988588663 /nfs/dbraw/zinc/58/86/63/988588663.db2.gz LUAUMTCIJFARMC-FKJOKYEKSA-N 2 1 224.348 1.247 20 30 BDEDMP C#CC[N@@H+](CCCc1c[nH+]cn1C)CC1CC1 ZINC001261543982 992373346 /nfs/dbraw/zinc/37/33/46/992373346.db2.gz CZVOHMCVJNRAHS-UHFFFAOYSA-N 2 1 231.343 1.698 20 30 BDEDMP C#CC[N@H+](CCCc1c[nH+]cn1C)CC1CC1 ZINC001261543982 992373356 /nfs/dbraw/zinc/37/33/56/992373356.db2.gz CZVOHMCVJNRAHS-UHFFFAOYSA-N 2 1 231.343 1.698 20 30 BDEDMP C#CCOCC[N@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001574735239 992895559 /nfs/dbraw/zinc/89/55/59/992895559.db2.gz CZFBJAPYSSZQFX-ZIAGYGMSSA-N 2 1 236.359 1.087 20 30 BDEDMP C=CC[C@@H](CO)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423020028 398160990 /nfs/dbraw/zinc/16/09/90/398160990.db2.gz YKFUABDRTODMOB-WDEREUQCSA-N 2 1 235.331 1.329 20 30 BDEDMP C=C(C)[C@H](CO)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000649353850 398165941 /nfs/dbraw/zinc/16/59/41/398165941.db2.gz XHTDQAIWBGAJMJ-MCIONIFRSA-N 2 1 238.375 1.340 20 30 BDEDMP C=CCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000389378012 539016202 /nfs/dbraw/zinc/01/62/02/539016202.db2.gz BNUXVGNSHDXXER-VXGBXAGGSA-N 2 1 212.337 1.261 20 30 BDEDMP N#CCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363259688 136269078 /nfs/dbraw/zinc/26/90/78/136269078.db2.gz PZJWYKQTOGMPFU-MCIONIFRSA-N 2 1 233.359 1.706 20 30 BDEDMP N#CCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363259688 136269079 /nfs/dbraw/zinc/26/90/79/136269079.db2.gz PZJWYKQTOGMPFU-MCIONIFRSA-N 2 1 233.359 1.706 20 30 BDEDMP N#CCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363259688 136269080 /nfs/dbraw/zinc/26/90/80/136269080.db2.gz PZJWYKQTOGMPFU-MCIONIFRSA-N 2 1 233.359 1.706 20 30 BDEDMP N#CCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363259688 136269081 /nfs/dbraw/zinc/26/90/81/136269081.db2.gz PZJWYKQTOGMPFU-MCIONIFRSA-N 2 1 233.359 1.706 20 30 BDEDMP N#CCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363259689 136269220 /nfs/dbraw/zinc/26/92/20/136269220.db2.gz PZJWYKQTOGMPFU-MGPQQGTHSA-N 2 1 233.359 1.706 20 30 BDEDMP N#CCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363259689 136269221 /nfs/dbraw/zinc/26/92/21/136269221.db2.gz PZJWYKQTOGMPFU-MGPQQGTHSA-N 2 1 233.359 1.706 20 30 BDEDMP N#CCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363259689 136269222 /nfs/dbraw/zinc/26/92/22/136269222.db2.gz PZJWYKQTOGMPFU-MGPQQGTHSA-N 2 1 233.359 1.706 20 30 BDEDMP N#CCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363259689 136269223 /nfs/dbraw/zinc/26/92/23/136269223.db2.gz PZJWYKQTOGMPFU-MGPQQGTHSA-N 2 1 233.359 1.706 20 30 BDEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCOCCC#N)CCN1C ZINC000339010358 136280007 /nfs/dbraw/zinc/28/00/07/136280007.db2.gz LYQQVMQHWCSFIB-OLZOCXBDSA-N 2 1 239.363 1.331 20 30 BDEDMP C[C@@H]1C[C@@H]([N@H+](C)CCOCCC#N)CC[NH+]1C ZINC000339010358 136280010 /nfs/dbraw/zinc/28/00/10/136280010.db2.gz LYQQVMQHWCSFIB-OLZOCXBDSA-N 2 1 239.363 1.331 20 30 BDEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCOCCC#N)CC[NH+]1C ZINC000339010358 136280011 /nfs/dbraw/zinc/28/00/11/136280011.db2.gz LYQQVMQHWCSFIB-OLZOCXBDSA-N 2 1 239.363 1.331 20 30 BDEDMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000071142221 343621594 /nfs/dbraw/zinc/62/15/94/343621594.db2.gz TTWNRMDLJQSSJA-AWEZNQCLSA-N 2 1 229.327 1.600 20 30 BDEDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000071142221 343621596 /nfs/dbraw/zinc/62/15/96/343621596.db2.gz TTWNRMDLJQSSJA-AWEZNQCLSA-N 2 1 229.327 1.600 20 30 BDEDMP N#Cc1cccc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000536598968 343606680 /nfs/dbraw/zinc/60/66/80/343606680.db2.gz UZPIPTNHLCMTFN-UHFFFAOYSA-N 2 1 229.327 1.744 20 30 BDEDMP CC[N@H+]1CCC[C@@H](CNCc2ccc(C#N)o2)C1 ZINC000337885657 344255336 /nfs/dbraw/zinc/25/53/36/344255336.db2.gz VRSWZHHQYWOMIU-LBPRGKRZSA-N 2 1 247.342 1.973 20 30 BDEDMP CC[N@H+]1CCC[C@H](CNCc2ccc(C#N)o2)C1 ZINC000337885656 344259989 /nfs/dbraw/zinc/25/99/89/344259989.db2.gz VRSWZHHQYWOMIU-GFCCVEGCSA-N 2 1 247.342 1.973 20 30 BDEDMP C[C@@H]1C[C@H]([NH2+]CC2(CC#N)CC2)CC[N@H+]1C ZINC000158265859 345313839 /nfs/dbraw/zinc/31/38/39/345313839.db2.gz LYOXLRNHODTPDR-VXGBXAGGSA-N 2 1 221.348 1.753 20 30 BDEDMP C#CC[N@@H+](C)CCCN[C@H](C)c1ccnn1C ZINC000294877117 346314449 /nfs/dbraw/zinc/31/44/49/346314449.db2.gz DDFZMUPNBFOKRG-GFCCVEGCSA-N 2 1 234.347 1.026 20 30 BDEDMP C#CC[N@H+](C)CCCN[C@H](C)c1ccnn1C ZINC000294877117 346314450 /nfs/dbraw/zinc/31/44/50/346314450.db2.gz DDFZMUPNBFOKRG-GFCCVEGCSA-N 2 1 234.347 1.026 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000378675157 346802396 /nfs/dbraw/zinc/80/23/96/346802396.db2.gz ODPNOHMXKFHTPZ-ZIAGYGMSSA-N 2 1 220.360 1.720 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000378675157 346802398 /nfs/dbraw/zinc/80/23/98/346802398.db2.gz ODPNOHMXKFHTPZ-ZIAGYGMSSA-N 2 1 220.360 1.720 20 30 BDEDMP C[NH2+]C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595891584 348390270 /nfs/dbraw/zinc/39/02/70/348390270.db2.gz IBWVIRRINUTCQE-UHFFFAOYSA-N 2 1 243.354 1.785 20 30 BDEDMP N#CC[C@@H]1CCC[N@@H+](CCn2ccnc2)C1 ZINC000397762499 350005189 /nfs/dbraw/zinc/00/51/89/350005189.db2.gz LJVKEXONLYLXPG-LBPRGKRZSA-N 2 1 218.304 1.509 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365404078 350267680 /nfs/dbraw/zinc/26/76/80/350267680.db2.gz OIYVWYMNTKJFFV-UONOGXRCSA-N 2 1 240.391 1.730 20 30 BDEDMP CC#CCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365405594 350269347 /nfs/dbraw/zinc/26/93/47/350269347.db2.gz SUKCBPCLFAKFFI-CYBMUJFWSA-N 2 1 208.349 1.816 20 30 BDEDMP Cc1[nH+]ccn1CCN(C[C@H](C)C#N)C1CC1 ZINC000336716589 350471721 /nfs/dbraw/zinc/47/17/21/350471721.db2.gz VVXQQXRYJMAYFW-LLVKDONJSA-N 2 1 232.331 1.816 20 30 BDEDMP C=CCC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623542341 362960780 /nfs/dbraw/zinc/96/07/80/362960780.db2.gz WLEONNZKMCGQJT-CHWSQXEVSA-N 2 1 240.391 1.776 20 30 BDEDMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC000049553174 356480402 /nfs/dbraw/zinc/48/04/02/356480402.db2.gz JMANZFOEGKACCV-GFCCVEGCSA-N 2 1 231.343 1.988 20 30 BDEDMP C=CCCC[N@@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000639762810 356686890 /nfs/dbraw/zinc/68/68/90/356686890.db2.gz OODIPOGGRVECIB-ZDUSSCGKSA-N 2 1 226.364 1.341 20 30 BDEDMP C=CCCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762810 356686894 /nfs/dbraw/zinc/68/68/94/356686894.db2.gz OODIPOGGRVECIB-ZDUSSCGKSA-N 2 1 226.364 1.341 20 30 BDEDMP C=CCCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762810 356686896 /nfs/dbraw/zinc/68/68/96/356686896.db2.gz OODIPOGGRVECIB-ZDUSSCGKSA-N 2 1 226.364 1.341 20 30 BDEDMP C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@@H]1[NH3+] ZINC000094339188 356777474 /nfs/dbraw/zinc/77/74/74/356777474.db2.gz BHPQYTVEJRIXQQ-FZMZJTMJSA-N 2 1 229.327 1.727 20 30 BDEDMP C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1[NH3+] ZINC000094339188 356777479 /nfs/dbraw/zinc/77/74/79/356777479.db2.gz BHPQYTVEJRIXQQ-FZMZJTMJSA-N 2 1 229.327 1.727 20 30 BDEDMP C=CC[C@@H](CC)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000393840264 357303398 /nfs/dbraw/zinc/30/33/98/357303398.db2.gz HLSNZVUHBMFHIM-DGCLKSJQSA-N 2 1 226.364 1.386 20 30 BDEDMP C=CC[C@@H](CC)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000393840264 357303401 /nfs/dbraw/zinc/30/34/01/357303401.db2.gz HLSNZVUHBMFHIM-DGCLKSJQSA-N 2 1 226.364 1.386 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000305096487 134239856 /nfs/dbraw/zinc/23/98/56/134239856.db2.gz TYUCAMXOTIABQW-AWEZNQCLSA-N 2 1 240.391 1.730 20 30 BDEDMP C=CCC[C@H](O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000305096487 134239857 /nfs/dbraw/zinc/23/98/57/134239857.db2.gz TYUCAMXOTIABQW-AWEZNQCLSA-N 2 1 240.391 1.730 20 30 BDEDMP CCNC(=[NH2+])NCc1cccc(C[N@@H+](C)CC)c1 ZINC000264082366 535424298 /nfs/dbraw/zinc/42/42/98/535424298.db2.gz HWXAFKOTVSLNGV-UHFFFAOYSA-N 2 1 248.374 1.563 20 30 BDEDMP C=CC[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000090003595 360052411 /nfs/dbraw/zinc/05/24/11/360052411.db2.gz BINWZHWAZZMTFO-GFCCVEGCSA-N 2 1 219.332 1.861 20 30 BDEDMP C=CCOCC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000309498119 491150277 /nfs/dbraw/zinc/15/02/77/491150277.db2.gz ZAAZMFSGZQSIRB-CHWSQXEVSA-N 2 1 226.364 1.509 20 30 BDEDMP C=C(C)CC[NH2+]C1CC[NH+](CCOC)CC1 ZINC000449479431 219844087 /nfs/dbraw/zinc/84/40/87/219844087.db2.gz UYUORBHHERXNHC-UHFFFAOYSA-N 2 1 226.364 1.653 20 30 BDEDMP C=C(C)COCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000161881455 201215038 /nfs/dbraw/zinc/21/50/38/201215038.db2.gz QJWWQYBIRTYLEQ-CHWSQXEVSA-N 2 1 226.364 1.651 20 30 BDEDMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](C#N)CCC#N ZINC000579701204 366982726 /nfs/dbraw/zinc/98/27/26/366982726.db2.gz ZDQSSDFFYQQNKL-ZDUSSCGKSA-N 2 1 245.330 1.615 20 30 BDEDMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(C#N)n1 ZINC000602530145 369805293 /nfs/dbraw/zinc/80/52/93/369805293.db2.gz DTFGJEGQXXCMJS-UHFFFAOYSA-N 2 1 241.298 1.248 20 30 BDEDMP C=CC[NH+]1CCC([NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000631065954 371257792 /nfs/dbraw/zinc/25/77/92/371257792.db2.gz XYMCFEGVOXMZQS-UHFFFAOYSA-N 2 1 247.342 1.527 20 30 BDEDMP C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CCCC[NH2+]1 ZINC000424379920 206038219 /nfs/dbraw/zinc/03/82/19/206038219.db2.gz WDAOTIPRSWVBET-XQHKEYJVSA-N 2 1 221.348 1.799 20 30 BDEDMP C#CCCC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000375213605 533036595 /nfs/dbraw/zinc/03/65/95/533036595.db2.gz AATWDMVCMCFCEL-STQMWFEESA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000375213605 533036600 /nfs/dbraw/zinc/03/66/00/533036600.db2.gz AATWDMVCMCFCEL-STQMWFEESA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000375213605 533036602 /nfs/dbraw/zinc/03/66/02/533036602.db2.gz AATWDMVCMCFCEL-STQMWFEESA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCCC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000375213605 533036604 /nfs/dbraw/zinc/03/66/04/533036604.db2.gz AATWDMVCMCFCEL-STQMWFEESA-N 2 1 206.333 1.426 20 30 BDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371206604 533045159 /nfs/dbraw/zinc/04/51/59/533045159.db2.gz ZCFGNDGDUFRXFO-OAHLLOKOSA-N 2 1 249.402 1.110 20 30 BDEDMP C#CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363415829 134398589 /nfs/dbraw/zinc/39/85/89/134398589.db2.gz YNQYSWYVCNMESY-FRRDWIJNSA-N 2 1 204.317 1.036 20 30 BDEDMP C#CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363415829 134398591 /nfs/dbraw/zinc/39/85/91/134398591.db2.gz YNQYSWYVCNMESY-FRRDWIJNSA-N 2 1 204.317 1.036 20 30 BDEDMP C#CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363415829 134398593 /nfs/dbraw/zinc/39/85/93/134398593.db2.gz YNQYSWYVCNMESY-FRRDWIJNSA-N 2 1 204.317 1.036 20 30 BDEDMP C#CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363415829 134398594 /nfs/dbraw/zinc/39/85/94/134398594.db2.gz YNQYSWYVCNMESY-FRRDWIJNSA-N 2 1 204.317 1.036 20 30 BDEDMP C=C(C)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150808540 384511541 /nfs/dbraw/zinc/51/15/41/384511541.db2.gz IIIMSZOIRAGZDV-ZDUSSCGKSA-N 2 1 208.349 1.980 20 30 BDEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000044535348 384658100 /nfs/dbraw/zinc/65/81/00/384658100.db2.gz SENPBJSJCQJBIK-OAHLLOKOSA-N 2 1 243.354 1.990 20 30 BDEDMP C=CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363710818 384721220 /nfs/dbraw/zinc/72/12/20/384721220.db2.gz FXITYPPRPSJNAE-MELADBBJSA-N 2 1 238.375 1.651 20 30 BDEDMP C=C(C)COCC[NH2+]C1CC[NH+](C)CC1 ZINC000090451128 384821130 /nfs/dbraw/zinc/82/11/30/384821130.db2.gz MYGBCUKFSCRPLC-UHFFFAOYSA-N 2 1 212.337 1.263 20 30 BDEDMP C[N@H+]1CC[C@H]([NH2+]CCCC#N)[C@H]2CCC[C@@H]21 ZINC000309597394 385725876 /nfs/dbraw/zinc/72/58/76/385725876.db2.gz WPJISQLDHCPSNC-AGIUHOORSA-N 2 1 221.348 1.753 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)[C@@H]1C[C@@H]1C ZINC000321888698 387310427 /nfs/dbraw/zinc/31/04/27/387310427.db2.gz KXGDWXHJWJJYHQ-BFHYXJOUSA-N 2 1 222.376 1.966 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)[C@@H]1C[C@@H]1C ZINC000321888698 387310428 /nfs/dbraw/zinc/31/04/28/387310428.db2.gz KXGDWXHJWJJYHQ-BFHYXJOUSA-N 2 1 222.376 1.966 20 30 BDEDMP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000423391539 387277133 /nfs/dbraw/zinc/27/71/33/387277133.db2.gz XAALMEUJIDKRON-IJLUTSLNSA-N 2 1 209.337 1.656 20 30 BDEDMP C#CC[NH+](C)CCCN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000328119349 387878220 /nfs/dbraw/zinc/87/82/20/387878220.db2.gz QIXKCFUFGIPKGN-UONOGXRCSA-N 2 1 249.402 1.156 20 30 BDEDMP C#CC[N@@H+](C)CCCN[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000328119349 387878224 /nfs/dbraw/zinc/87/82/24/387878224.db2.gz QIXKCFUFGIPKGN-UONOGXRCSA-N 2 1 249.402 1.156 20 30 BDEDMP C#CC[N@H+](C)CCCN[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000328119349 387878228 /nfs/dbraw/zinc/87/82/28/387878228.db2.gz QIXKCFUFGIPKGN-UONOGXRCSA-N 2 1 249.402 1.156 20 30 BDEDMP C[C@@H]1C[C@H]([NH2+]CCCCC#N)CC[N@H+]1C ZINC000156230885 387942467 /nfs/dbraw/zinc/94/24/67/387942467.db2.gz LIWALUVNSIVAMF-VXGBXAGGSA-N 2 1 209.337 1.753 20 30 BDEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000105480521 387984283 /nfs/dbraw/zinc/98/42/83/387984283.db2.gz FJPSUPASGBRIHC-WFASDCNBSA-N 2 1 243.354 1.988 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449520365 388222889 /nfs/dbraw/zinc/22/28/89/388222889.db2.gz PBKQBXWXFIFZBV-FQUUOJAGSA-N 2 1 236.359 1.546 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C1CCOCC1 ZINC000491689137 388310940 /nfs/dbraw/zinc/31/09/40/388310940.db2.gz GRMFYXAAANSRIM-ZDUSSCGKSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C1CCOCC1 ZINC000491689137 388310941 /nfs/dbraw/zinc/31/09/41/388310941.db2.gz GRMFYXAAANSRIM-ZDUSSCGKSA-N 2 1 238.375 1.346 20 30 BDEDMP C#CCN(C[C@H](O)C[N@H+](C)CC)C1CCCC1 ZINC000491724219 388314832 /nfs/dbraw/zinc/31/48/32/388314832.db2.gz FIDRNFVQTHGTJD-CQSZACIVSA-N 2 1 238.375 1.177 20 30 BDEDMP C#CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1CCCC1 ZINC000491724219 388314835 /nfs/dbraw/zinc/31/48/35/388314835.db2.gz FIDRNFVQTHGTJD-CQSZACIVSA-N 2 1 238.375 1.177 20 30 BDEDMP C#CC[NH+](C[C@H](O)C[N@H+](C)CC)C1CCCC1 ZINC000491724219 388314836 /nfs/dbraw/zinc/31/48/36/388314836.db2.gz FIDRNFVQTHGTJD-CQSZACIVSA-N 2 1 238.375 1.177 20 30 BDEDMP C#CC[N@@H+](C[C@H](O)C[NH+](C)CC)C1CCCC1 ZINC000491724219 388314837 /nfs/dbraw/zinc/31/48/37/388314837.db2.gz FIDRNFVQTHGTJD-CQSZACIVSA-N 2 1 238.375 1.177 20 30 BDEDMP C#CC[N@H+](C[C@H](O)C[NH+](C)CC)C1CCCC1 ZINC000491724219 388314838 /nfs/dbraw/zinc/31/48/38/388314838.db2.gz FIDRNFVQTHGTJD-CQSZACIVSA-N 2 1 238.375 1.177 20 30 BDEDMP C#CC[N@H+](CCC[NH+]1CCCC1)C1CC1 ZINC000491791664 388321255 /nfs/dbraw/zinc/32/12/55/388321255.db2.gz AOFUUIYSKMZDGU-UHFFFAOYSA-N 2 1 206.333 1.570 20 30 BDEDMP C#CC[N@@H+](CCC[NH+]1CCCC1)C1CC1 ZINC000491791664 388321256 /nfs/dbraw/zinc/32/12/56/388321256.db2.gz AOFUUIYSKMZDGU-UHFFFAOYSA-N 2 1 206.333 1.570 20 30 BDEDMP C#CC[NH+](C)CCCN[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000491209519 388277339 /nfs/dbraw/zinc/27/73/39/388277339.db2.gz IHTAFXLZJTYRIN-HIFRSBDPSA-N 2 1 249.402 1.014 20 30 BDEDMP C#CC[N@@H+](C)CCCN[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000491209519 388277341 /nfs/dbraw/zinc/27/73/41/388277341.db2.gz IHTAFXLZJTYRIN-HIFRSBDPSA-N 2 1 249.402 1.014 20 30 BDEDMP C#CC[N@H+](C)CCCN[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000491209519 388277342 /nfs/dbraw/zinc/27/73/42/388277342.db2.gz IHTAFXLZJTYRIN-HIFRSBDPSA-N 2 1 249.402 1.014 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000393903053 388445727 /nfs/dbraw/zinc/44/57/27/388445727.db2.gz ITCASMICFCTXOV-YNEHKIRRSA-N 2 1 208.349 1.576 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000393903053 388445730 /nfs/dbraw/zinc/44/57/30/388445730.db2.gz ITCASMICFCTXOV-YNEHKIRRSA-N 2 1 208.349 1.576 20 30 BDEDMP COc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)ccc1C#N ZINC000414803865 388665505 /nfs/dbraw/zinc/66/55/05/388665505.db2.gz WYBQNYUCAYIMKE-CYBMUJFWSA-N 2 1 247.342 1.640 20 30 BDEDMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000423094604 388687788 /nfs/dbraw/zinc/68/77/88/388687788.db2.gz CCRNPCOGGQYYNJ-DOMZBBRYSA-N 2 1 243.354 1.688 20 30 BDEDMP C=C(C)C[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350260535 533511927 /nfs/dbraw/zinc/51/19/27/533511927.db2.gz WSWXIMWACJPGLA-AWEZNQCLSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CC[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371424770 134228492 /nfs/dbraw/zinc/22/84/92/134228492.db2.gz PPAYWBRDTDFGBS-CQSZACIVSA-N 2 1 237.391 1.132 20 30 BDEDMP C=CCOCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000339124920 135060284 /nfs/dbraw/zinc/06/02/84/135060284.db2.gz MIXNSKIYHQOFLK-ZDUSSCGKSA-N 2 1 226.364 1.605 20 30 BDEDMP C=C(C)CNC(=[NH2+])NCC[N@H+](C)[C@H](C)CC ZINC000264324774 135138228 /nfs/dbraw/zinc/13/82/28/135138228.db2.gz YMIXBFKNAMQLLG-LLVKDONJSA-N 2 1 226.368 1.197 20 30 BDEDMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000261565251 135207858 /nfs/dbraw/zinc/20/78/58/135207858.db2.gz CZWSCMCLDVWCPY-VWYCJHECSA-N 2 1 217.316 1.945 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000341871918 135243840 /nfs/dbraw/zinc/24/38/40/135243840.db2.gz DJECFRZYDVCKKQ-XDQVBPFNSA-N 2 1 240.391 1.489 20 30 BDEDMP C=CCNC(=[NH2+])NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000261878745 135259321 /nfs/dbraw/zinc/25/93/21/135259321.db2.gz QOAIMAAVWVCRND-RYUDHWBXSA-N 2 1 238.379 1.340 20 30 BDEDMP C[C@@H]1C[NH+]=C(NCC[N@H+]2CCCC(C)(C)C2)N1 ZINC000262686227 135313495 /nfs/dbraw/zinc/31/34/95/135313495.db2.gz YMDRDTSQGWXVSV-LLVKDONJSA-N 2 1 238.379 1.046 20 30 BDEDMP C=CCOCCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000348171572 136042751 /nfs/dbraw/zinc/04/27/51/136042751.db2.gz VOUJQLNUGQJFBH-CQSZACIVSA-N 2 1 240.391 1.995 20 30 BDEDMP C=CCCn1cc(C[NH+]2CCC(C[NH3+])CC2)nn1 ZINC000655937247 411159342 /nfs/dbraw/zinc/15/93/42/411159342.db2.gz XSXYYIJIVCSNQD-UHFFFAOYSA-N 2 1 249.362 1.025 20 30 BDEDMP C=C[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655722503 411295191 /nfs/dbraw/zinc/29/51/91/411295191.db2.gz CHJHKLUJJKRJQI-GXTWGEPZSA-N 2 1 238.375 1.794 20 30 BDEDMP C=C(C)C[N@H+](CC)C[C@@H](O)C[NH+](C)C(C)C ZINC000659829407 411312456 /nfs/dbraw/zinc/31/24/56/411312456.db2.gz POWUZBKIUURYCH-ZDUSSCGKSA-N 2 1 228.380 1.586 20 30 BDEDMP C=C(C)C[N@@H+](CC)C[C@@H](O)C[NH+](C)C(C)C ZINC000659829407 411312459 /nfs/dbraw/zinc/31/24/59/411312459.db2.gz POWUZBKIUURYCH-ZDUSSCGKSA-N 2 1 228.380 1.586 20 30 BDEDMP C=C(C)C[NH+](CC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000659829407 411312462 /nfs/dbraw/zinc/31/24/62/411312462.db2.gz POWUZBKIUURYCH-ZDUSSCGKSA-N 2 1 228.380 1.586 20 30 BDEDMP C=C(C)C[NH+](CC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000659829407 411312464 /nfs/dbraw/zinc/31/24/64/411312464.db2.gz POWUZBKIUURYCH-ZDUSSCGKSA-N 2 1 228.380 1.586 20 30 BDEDMP C=CC1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000656698539 411324148 /nfs/dbraw/zinc/32/41/48/411324148.db2.gz YLAOVPSUXVJHRA-CQSZACIVSA-N 2 1 240.391 1.586 20 30 BDEDMP C=CC1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000656698539 411324150 /nfs/dbraw/zinc/32/41/50/411324150.db2.gz YLAOVPSUXVJHRA-CQSZACIVSA-N 2 1 240.391 1.586 20 30 BDEDMP C=CC[C@@H]1CCC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000662299909 412086721 /nfs/dbraw/zinc/08/67/21/412086721.db2.gz ZKVUIXSCRAMSER-CHWSQXEVSA-N 2 1 226.364 1.245 20 30 BDEDMP CN(Cc1cc(C#N)n(C)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000276766460 173112546 /nfs/dbraw/zinc/11/25/46/173112546.db2.gz NTJOMHDXGSDBIB-GFCCVEGCSA-N 2 1 246.358 1.280 20 30 BDEDMP Cn1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1C#N ZINC000276766460 173112548 /nfs/dbraw/zinc/11/25/48/173112548.db2.gz NTJOMHDXGSDBIB-GFCCVEGCSA-N 2 1 246.358 1.280 20 30 BDEDMP Cn1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1C#N ZINC000276766460 173112551 /nfs/dbraw/zinc/11/25/51/173112551.db2.gz NTJOMHDXGSDBIB-GFCCVEGCSA-N 2 1 246.358 1.280 20 30 BDEDMP Cn1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1C#N ZINC000276766460 173112553 /nfs/dbraw/zinc/11/25/53/173112553.db2.gz NTJOMHDXGSDBIB-GFCCVEGCSA-N 2 1 246.358 1.280 20 30 BDEDMP Cn1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1C#N ZINC000276766460 173112554 /nfs/dbraw/zinc/11/25/54/173112554.db2.gz NTJOMHDXGSDBIB-GFCCVEGCSA-N 2 1 246.358 1.280 20 30 BDEDMP C[C@H]1C[C@@H]([NH+](C)CCCC#N)CC[N@@H+]1C ZINC000123698676 177327883 /nfs/dbraw/zinc/32/78/83/177327883.db2.gz MOPGPOJTLJODPQ-RYUDHWBXSA-N 2 1 209.337 1.705 20 30 BDEDMP C[C@H]1C[C@@H]([NH+](C)CCCC#N)CC[N@H+]1C ZINC000123698676 177327884 /nfs/dbraw/zinc/32/78/84/177327884.db2.gz MOPGPOJTLJODPQ-RYUDHWBXSA-N 2 1 209.337 1.705 20 30 BDEDMP C[C@H]1C[C@@H]([N@H+](C)CCCC#N)CC[NH+]1C ZINC000123698676 177327885 /nfs/dbraw/zinc/32/78/85/177327885.db2.gz MOPGPOJTLJODPQ-RYUDHWBXSA-N 2 1 209.337 1.705 20 30 BDEDMP C[C@H]1C[C@@H]([N@@H+](C)CCCC#N)CC[NH+]1C ZINC000123698676 177327886 /nfs/dbraw/zinc/32/78/86/177327886.db2.gz MOPGPOJTLJODPQ-RYUDHWBXSA-N 2 1 209.337 1.705 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+]CC2(O)CCC2)CC1 ZINC000571551607 323148154 /nfs/dbraw/zinc/14/81/54/323148154.db2.gz PZQGZPOJEZBARI-UHFFFAOYSA-N 2 1 238.375 1.532 20 30 BDEDMP C[NH+](C)CCOc1cccc(C[NH2+]CCC#N)c1 ZINC000564564878 325796114 /nfs/dbraw/zinc/79/61/14/325796114.db2.gz SATJJZZWWVNMJC-UHFFFAOYSA-N 2 1 247.342 1.630 20 30 BDEDMP C=C(C)[C@@H](CO)[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000677480321 488050292 /nfs/dbraw/zinc/05/02/92/488050292.db2.gz XBKIZDQKIOTEBT-UONOGXRCSA-N 2 1 240.391 1.587 20 30 BDEDMP C=C(C)[C@@H](CO)[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000677480321 488050294 /nfs/dbraw/zinc/05/02/94/488050294.db2.gz XBKIZDQKIOTEBT-UONOGXRCSA-N 2 1 240.391 1.587 20 30 BDEDMP C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000677480321 488050295 /nfs/dbraw/zinc/05/02/95/488050295.db2.gz XBKIZDQKIOTEBT-UONOGXRCSA-N 2 1 240.391 1.587 20 30 BDEDMP C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000677480321 488050297 /nfs/dbraw/zinc/05/02/97/488050297.db2.gz XBKIZDQKIOTEBT-UONOGXRCSA-N 2 1 240.391 1.587 20 30 BDEDMP COCC#CCN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000677820250 487518879 /nfs/dbraw/zinc/51/88/79/487518879.db2.gz KOVMNAUJPUIAKR-CHWSQXEVSA-N 2 1 224.348 1.051 20 30 BDEDMP COCC#CC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000677820250 487518886 /nfs/dbraw/zinc/51/88/86/487518886.db2.gz KOVMNAUJPUIAKR-CHWSQXEVSA-N 2 1 224.348 1.051 20 30 BDEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000677820250 487518891 /nfs/dbraw/zinc/51/88/91/487518891.db2.gz KOVMNAUJPUIAKR-CHWSQXEVSA-N 2 1 224.348 1.051 20 30 BDEDMP C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678220248 488215903 /nfs/dbraw/zinc/21/59/03/488215903.db2.gz UDIQLUVGXURQSP-UONOGXRCSA-N 2 1 238.375 1.341 20 30 BDEDMP C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678220248 488215907 /nfs/dbraw/zinc/21/59/07/488215907.db2.gz UDIQLUVGXURQSP-UONOGXRCSA-N 2 1 238.375 1.341 20 30 BDEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000223286041 534353826 /nfs/dbraw/zinc/35/38/26/534353826.db2.gz MXUBKGMVNHYYQD-QJPTWQEYSA-N 2 1 214.353 1.099 20 30 BDEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000341882378 534399790 /nfs/dbraw/zinc/39/97/90/534399790.db2.gz HBGCUVHNWZUFKZ-MJBXVCDLSA-N 2 1 238.375 1.387 20 30 BDEDMP C[N@@H+]1CC[C@@H]2CC[NH+](CCCCC#N)[C@@H]2C1 ZINC000361100837 536463664 /nfs/dbraw/zinc/46/36/64/536463664.db2.gz APECTUCXKUMMFM-CHWSQXEVSA-N 2 1 221.348 1.706 20 30 BDEDMP C[N@H+]1CC[C@@H]2CC[NH+](CCCCC#N)[C@@H]2C1 ZINC000361100837 536463666 /nfs/dbraw/zinc/46/36/66/536463666.db2.gz APECTUCXKUMMFM-CHWSQXEVSA-N 2 1 221.348 1.706 20 30 BDEDMP C[NH+]1CC[C@@H]2CC[N@H+](CCCCC#N)[C@@H]2C1 ZINC000361100837 536463668 /nfs/dbraw/zinc/46/36/68/536463668.db2.gz APECTUCXKUMMFM-CHWSQXEVSA-N 2 1 221.348 1.706 20 30 BDEDMP C[NH+]1CC[C@@H]2CC[N@@H+](CCCCC#N)[C@@H]2C1 ZINC000361100837 536463669 /nfs/dbraw/zinc/46/36/69/536463669.db2.gz APECTUCXKUMMFM-CHWSQXEVSA-N 2 1 221.348 1.706 20 30 BDEDMP C#CC[N@H+](C)CCCNC(=[NH2+])NCCC(C)C ZINC000491814215 526803800 /nfs/dbraw/zinc/80/38/00/526803800.db2.gz RHZKVBCGPSIMSA-UHFFFAOYSA-N 2 1 238.379 1.102 20 30 BDEDMP C=CCSCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400658492 527004879 /nfs/dbraw/zinc/00/48/79/527004879.db2.gz RIGKQAGNRLGYNA-GHMZBOCLSA-N 2 1 214.378 1.636 20 30 BDEDMP C=CCC[C@H](CO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400413836 527474126 /nfs/dbraw/zinc/47/41/26/527474126.db2.gz UTSDGQPHKXZYSG-UTUOFQBUSA-N 2 1 212.337 1.044 20 30 BDEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CC2)C1 ZINC000262397687 535127920 /nfs/dbraw/zinc/12/79/20/535127920.db2.gz NEOLESDFQXGTOQ-NSHDSACASA-N 2 1 238.379 1.031 20 30 BDEDMP CC(C)[N@H+]1CCC[C@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000262676686 535168929 /nfs/dbraw/zinc/16/89/29/535168929.db2.gz UFUVNFJDMQQLHO-VXGBXAGGSA-N 2 1 238.379 1.044 20 30 BDEDMP C[NH+]1CCC(NCc2cc(C#N)cs2)CC1 ZINC000086500158 536344363 /nfs/dbraw/zinc/34/43/63/536344363.db2.gz VZOPEIDATXGEJK-UHFFFAOYSA-N 2 1 235.356 1.804 20 30 BDEDMP C[C@@H](CNC(=[NH2+])N1CCCCC1)[N@@H+](C)C1CC1 ZINC000104193009 583163273 /nfs/dbraw/zinc/16/32/73/583163273.db2.gz LSBOUCKOIPIBJO-NSHDSACASA-N 2 1 238.379 1.270 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000894863813 583535910 /nfs/dbraw/zinc/53/59/10/583535910.db2.gz UQTGNDIZQJBQIL-NSHDSACASA-N 2 1 244.329 1.965 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000894863813 583535912 /nfs/dbraw/zinc/53/59/12/583535912.db2.gz UQTGNDIZQJBQIL-NSHDSACASA-N 2 1 244.329 1.965 20 30 BDEDMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CC1CCC(C#N)CC1 ZINC000903476920 584777391 /nfs/dbraw/zinc/77/73/91/584777391.db2.gz NPLLZMIVMHJPGM-XVSSEFHLSA-N 2 1 221.348 1.738 20 30 BDEDMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CC1CCC(C#N)CC1 ZINC000903476920 584777392 /nfs/dbraw/zinc/77/73/92/584777392.db2.gz NPLLZMIVMHJPGM-XVSSEFHLSA-N 2 1 221.348 1.738 20 30 BDEDMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CC1CCC(C#N)CC1 ZINC000903476919 584777437 /nfs/dbraw/zinc/77/74/37/584777437.db2.gz NPLLZMIVMHJPGM-WTIISPKJSA-N 2 1 221.348 1.738 20 30 BDEDMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CC1CCC(C#N)CC1 ZINC000903476919 584777438 /nfs/dbraw/zinc/77/74/38/584777438.db2.gz NPLLZMIVMHJPGM-WTIISPKJSA-N 2 1 221.348 1.738 20 30 BDEDMP C[C@@H]1C[N@@H+](Cc2ccncc2C#N)C[C@H]1CC[NH3+] ZINC000903498868 584779880 /nfs/dbraw/zinc/77/98/80/584779880.db2.gz LYFIHEZCAINWHE-VXGBXAGGSA-N 2 1 244.342 1.370 20 30 BDEDMP N#C[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000903563430 584782306 /nfs/dbraw/zinc/78/23/06/584782306.db2.gz CLVUJRJKTSOTJT-CHWSQXEVSA-N 2 1 221.348 1.612 20 30 BDEDMP C=CCCC[N@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903850914 584808364 /nfs/dbraw/zinc/80/83/64/584808364.db2.gz ZSIHRIRYEUMLIQ-ZDUSSCGKSA-N 2 1 238.375 1.796 20 30 BDEDMP C[N@@H+](CCc1cccc(C#N)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904383659 584877353 /nfs/dbraw/zinc/87/73/53/584877353.db2.gz BNZJJWIEEFXSCS-GASCZTMLSA-N 2 1 243.354 1.770 20 30 BDEDMP Cc1cc(N)cc(C)c1C=[NH+]N1CC[NH+](C)CC1 ZINC000752712618 585248973 /nfs/dbraw/zinc/24/89/73/585248973.db2.gz AVNIMDYGZTYKSN-UHFFFAOYSA-N 2 1 246.358 1.467 20 30 BDEDMP C#CCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000760826246 585398424 /nfs/dbraw/zinc/39/84/24/585398424.db2.gz BLGYEKSGEZPFHO-UHFFFAOYSA-N 2 1 208.349 1.814 20 30 BDEDMP C#CCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000764241172 585462664 /nfs/dbraw/zinc/46/26/64/585462664.db2.gz NXKSTHISCUPDIE-ZDUSSCGKSA-N 2 1 208.349 1.816 20 30 BDEDMP C#CCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000764241172 585462665 /nfs/dbraw/zinc/46/26/65/585462665.db2.gz NXKSTHISCUPDIE-ZDUSSCGKSA-N 2 1 208.349 1.816 20 30 BDEDMP C#CCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000764241172 585462666 /nfs/dbraw/zinc/46/26/66/585462666.db2.gz NXKSTHISCUPDIE-ZDUSSCGKSA-N 2 1 208.349 1.816 20 30 BDEDMP C#CCCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000784256982 585853591 /nfs/dbraw/zinc/85/35/91/585853591.db2.gz JAFZHXQGFFFWSZ-UHFFFAOYSA-N 2 1 220.360 1.960 20 30 BDEDMP C#CCCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000784256982 585853592 /nfs/dbraw/zinc/85/35/92/585853592.db2.gz JAFZHXQGFFFWSZ-UHFFFAOYSA-N 2 1 220.360 1.960 20 30 BDEDMP C[C@@H](C#N)OCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000801951012 586282433 /nfs/dbraw/zinc/28/24/33/586282433.db2.gz RGAZKCXJPJYSFD-STQMWFEESA-N 2 1 239.363 1.331 20 30 BDEDMP C[C@@H](C#N)OCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000801951012 586282434 /nfs/dbraw/zinc/28/24/34/586282434.db2.gz RGAZKCXJPJYSFD-STQMWFEESA-N 2 1 239.363 1.331 20 30 BDEDMP C=CCNC(=[NH2+])NCCC[N@@H+]1CCCC[C@H]1C ZINC000848982304 588424049 /nfs/dbraw/zinc/42/40/49/588424049.db2.gz CEJVODKEKGBNII-GFCCVEGCSA-N 2 1 238.379 1.551 20 30 BDEDMP C[NH+]=C(NCC[N@H+]1CCC[C@@H](C)C1)NC1CC1 ZINC000848987732 588425968 /nfs/dbraw/zinc/42/59/68/588425968.db2.gz WDVODMMUGUBKFT-LLVKDONJSA-N 2 1 238.379 1.046 20 30 BDEDMP Cc1[nH+]ccn1CCCCNC1=[NH+]CCCN1C ZINC000849009596 588434476 /nfs/dbraw/zinc/43/44/76/588434476.db2.gz CUXJKVXMOLNLMK-UHFFFAOYSA-N 2 1 249.362 1.253 20 30 BDEDMP C=CCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000850354344 588538592 /nfs/dbraw/zinc/53/85/92/588538592.db2.gz DUKWYTOYZDLUSC-UHFFFAOYSA-N 2 1 225.361 1.870 20 30 BDEDMP C#C[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000852215842 588673193 /nfs/dbraw/zinc/67/31/93/588673193.db2.gz ONTYYYQLJBWPQS-UONOGXRCSA-N 2 1 238.375 1.033 20 30 BDEDMP C#C[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000852215842 588673194 /nfs/dbraw/zinc/67/31/94/588673194.db2.gz ONTYYYQLJBWPQS-UONOGXRCSA-N 2 1 238.375 1.033 20 30 BDEDMP C#C[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000852215842 588673195 /nfs/dbraw/zinc/67/31/95/588673195.db2.gz ONTYYYQLJBWPQS-UONOGXRCSA-N 2 1 238.375 1.033 20 30 BDEDMP C#C[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000852215842 588673196 /nfs/dbraw/zinc/67/31/96/588673196.db2.gz ONTYYYQLJBWPQS-UONOGXRCSA-N 2 1 238.375 1.033 20 30 BDEDMP C[N@@H+]1CC[C@H]2C[NH+](CCCC#N)CC[C@H]21 ZINC000879572013 590810393 /nfs/dbraw/zinc/81/03/93/590810393.db2.gz MYDSDLXQEPOAIH-NWDGAFQWSA-N 2 1 207.321 1.316 20 30 BDEDMP C[N@H+]1CC[C@H]2C[NH+](CCCC#N)CC[C@H]21 ZINC000879572013 590810397 /nfs/dbraw/zinc/81/03/97/590810397.db2.gz MYDSDLXQEPOAIH-NWDGAFQWSA-N 2 1 207.321 1.316 20 30 BDEDMP C[NH+]1CC[C@H]2C[N@H+](CCCC#N)CC[C@H]21 ZINC000879572013 590810400 /nfs/dbraw/zinc/81/04/00/590810400.db2.gz MYDSDLXQEPOAIH-NWDGAFQWSA-N 2 1 207.321 1.316 20 30 BDEDMP C[NH+]1CC[C@H]2C[N@@H+](CCCC#N)CC[C@H]21 ZINC000879572013 590810404 /nfs/dbraw/zinc/81/04/04/590810404.db2.gz MYDSDLXQEPOAIH-NWDGAFQWSA-N 2 1 207.321 1.316 20 30 BDEDMP CCC#C[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879577283 590813389 /nfs/dbraw/zinc/81/33/89/590813389.db2.gz HZTIXUZCBQKWKQ-IHRRRGAJSA-N 2 1 220.360 1.814 20 30 BDEDMP CCC#C[C@H](C)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879577283 590813391 /nfs/dbraw/zinc/81/33/91/590813391.db2.gz HZTIXUZCBQKWKQ-IHRRRGAJSA-N 2 1 220.360 1.814 20 30 BDEDMP CCC#C[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879577283 590813394 /nfs/dbraw/zinc/81/33/94/590813394.db2.gz HZTIXUZCBQKWKQ-IHRRRGAJSA-N 2 1 220.360 1.814 20 30 BDEDMP CCC#C[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879577283 590813396 /nfs/dbraw/zinc/81/33/96/590813396.db2.gz HZTIXUZCBQKWKQ-IHRRRGAJSA-N 2 1 220.360 1.814 20 30 BDEDMP CC#CCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879583061 590821778 /nfs/dbraw/zinc/82/17/78/590821778.db2.gz VILXIYAAZYYLSK-QWHCGFSZSA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879583061 590821780 /nfs/dbraw/zinc/82/17/80/590821780.db2.gz VILXIYAAZYYLSK-QWHCGFSZSA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879583061 590821783 /nfs/dbraw/zinc/82/17/83/590821783.db2.gz VILXIYAAZYYLSK-QWHCGFSZSA-N 2 1 206.333 1.426 20 30 BDEDMP CC#CCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879583061 590821787 /nfs/dbraw/zinc/82/17/87/590821787.db2.gz VILXIYAAZYYLSK-QWHCGFSZSA-N 2 1 206.333 1.426 20 30 BDEDMP C[C@@H]1C[N@@H+](CCCC#N)CCN1c1cc[nH+]cc1 ZINC000880259413 590979879 /nfs/dbraw/zinc/97/98/79/590979879.db2.gz SDJJOMQJPVOTEH-CYBMUJFWSA-N 2 1 244.342 1.896 20 30 BDEDMP C=CCOCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880475168 591053017 /nfs/dbraw/zinc/05/30/17/591053017.db2.gz RTWFCWVAAORRIH-UHFFFAOYSA-N 2 1 238.375 1.749 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)COC(C)C ZINC000883131034 591547118 /nfs/dbraw/zinc/54/71/18/591547118.db2.gz CPBUGSGJBXUXEQ-CYBMUJFWSA-N 2 1 226.364 1.345 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)COC(C)C ZINC000883131034 591547123 /nfs/dbraw/zinc/54/71/23/591547123.db2.gz CPBUGSGJBXUXEQ-CYBMUJFWSA-N 2 1 226.364 1.345 20 30 BDEDMP C#C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000300880151 592523871 /nfs/dbraw/zinc/52/38/71/592523871.db2.gz ISUXXKKUPSZYGK-UPJWGTAASA-N 2 1 208.349 1.717 20 30 BDEDMP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000300880151 592523873 /nfs/dbraw/zinc/52/38/73/592523873.db2.gz ISUXXKKUPSZYGK-UPJWGTAASA-N 2 1 208.349 1.717 20 30 BDEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CC[N@H+](CCC)C1 ZINC000104179710 592603246 /nfs/dbraw/zinc/60/32/46/592603246.db2.gz XHCBDMSEBMLKLM-LBPRGKRZSA-N 2 1 238.379 1.199 20 30 BDEDMP C#C[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000934514512 631895166 /nfs/dbraw/zinc/89/51/66/631895166.db2.gz IMTKSNLMGZBGDE-KBPBESRZSA-N 2 1 220.360 1.958 20 30 BDEDMP C#C[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000934514512 631895171 /nfs/dbraw/zinc/89/51/71/631895171.db2.gz IMTKSNLMGZBGDE-KBPBESRZSA-N 2 1 220.360 1.958 20 30 BDEDMP C#C[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000934514512 631895177 /nfs/dbraw/zinc/89/51/77/631895177.db2.gz IMTKSNLMGZBGDE-KBPBESRZSA-N 2 1 220.360 1.958 20 30 BDEDMP C#C[C@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000934514512 631895181 /nfs/dbraw/zinc/89/51/81/631895181.db2.gz IMTKSNLMGZBGDE-KBPBESRZSA-N 2 1 220.360 1.958 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccccn1 ZINC000926490731 632132510 /nfs/dbraw/zinc/13/25/10/632132510.db2.gz RDOHDUGHSSHNBU-AWEZNQCLSA-N 2 1 245.370 1.557 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccccn1 ZINC000926490731 632132513 /nfs/dbraw/zinc/13/25/13/632132513.db2.gz RDOHDUGHSSHNBU-AWEZNQCLSA-N 2 1 245.370 1.557 20 30 BDEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2COC[C@@H]2C)CC1 ZINC000924987402 635826079 /nfs/dbraw/zinc/82/60/79/635826079.db2.gz QGZUFYPANNETGT-JSGCOSHPSA-N 2 1 238.375 1.651 20 30 BDEDMP C=C(C)[C@H](CO)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931354872 634372131 /nfs/dbraw/zinc/37/21/31/634372131.db2.gz PBYGHDYIDOLCSE-LBPRGKRZSA-N 2 1 226.364 1.340 20 30 BDEDMP C=C(C)C[C@H](CO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925769115 635190692 /nfs/dbraw/zinc/19/06/92/635190692.db2.gz ATXNJBQBVQJJLQ-NEPJUHHUSA-N 2 1 224.348 1.188 20 30 BDEDMP CC1(C)C[N@H+](CC2CCC(C#N)CC2)C[C@@H]1[NH3+] ZINC000903559888 637368282 /nfs/dbraw/zinc/36/82/82/637368282.db2.gz LSLFCEGTGCVGTR-BPCQOVAHSA-N 2 1 235.375 1.985 20 30 BDEDMP CC1(C)C[N@@H+](CC2CCC(C#N)CC2)C[C@@H]1[NH3+] ZINC000903559888 637368286 /nfs/dbraw/zinc/36/82/86/637368286.db2.gz LSLFCEGTGCVGTR-BPCQOVAHSA-N 2 1 235.375 1.985 20 30 BDEDMP C[C@@H](CNC(NC(C)(C)C)=[NH+]C1CC1)[NH+](C)C ZINC000912506581 640100586 /nfs/dbraw/zinc/10/05/86/640100586.db2.gz QRMLKSYVHQUOKD-JTQLQIEISA-N 2 1 240.395 1.433 20 30 BDEDMP C=C(C)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931302709 640143777 /nfs/dbraw/zinc/14/37/77/640143777.db2.gz BNMAULZXANOQKO-CHWSQXEVSA-N 2 1 208.349 1.836 20 30 BDEDMP C[N@H+]1CC[C@@H]2CN(C[C@@H](C#N)CCC#N)C[C@@H]2C1 ZINC000931430222 640199634 /nfs/dbraw/zinc/19/96/34/640199634.db2.gz MVHVESIJHHBKGX-MCIONIFRSA-N 2 1 246.358 1.313 20 30 BDEDMP C=CCN(C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000917068821 642001507 /nfs/dbraw/zinc/00/15/07/642001507.db2.gz DIOLIDOZODQVNT-ZDUSSCGKSA-N 2 1 226.364 1.340 20 30 BDEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000923280583 644314388 /nfs/dbraw/zinc/31/43/88/644314388.db2.gz BURLHOFDNDEWOL-CHWSQXEVSA-N 2 1 226.364 1.245 20 30 BDEDMP C=CCC[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923398521 644404074 /nfs/dbraw/zinc/40/40/74/644404074.db2.gz KRQPBTJGUCMUMR-RYUDHWBXSA-N 2 1 224.348 1.188 20 30 BDEDMP C=CCC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923400019 644406441 /nfs/dbraw/zinc/40/64/41/644406441.db2.gz VYRHVUHRKHNVTP-AVGNSLFASA-N 2 1 224.348 1.127 20 30 BDEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000923400019 644406445 /nfs/dbraw/zinc/40/64/45/644406445.db2.gz VYRHVUHRKHNVTP-AVGNSLFASA-N 2 1 224.348 1.127 20 30 BDEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000303873277 644849607 /nfs/dbraw/zinc/84/96/07/644849607.db2.gz CKSKQENPHWQLDD-GFCCVEGCSA-N 2 1 238.379 1.129 20 30 BDEDMP CC(C)CNC(=[NH2+])NCC[N@H+]1CCCC[C@@H]1C ZINC000303889883 644853830 /nfs/dbraw/zinc/85/38/30/644853830.db2.gz MGLUWZKGWXGEPA-LBPRGKRZSA-N 2 1 240.395 1.421 20 30 BDEDMP CCCCNC(=[NH2+])NCC[N@@H+](CC)C(C)C ZINC000303980699 644862702 /nfs/dbraw/zinc/86/27/02/644862702.db2.gz OIQVFDVCMCNXKS-UHFFFAOYSA-N 2 1 228.384 1.421 20 30 BDEDMP C#CC[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000847005260 645413545 /nfs/dbraw/zinc/41/35/45/645413545.db2.gz RDTQZZZAFDINMD-KBPBESRZSA-N 2 1 238.375 1.034 20 30 BDEDMP C#CC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000847005260 645413551 /nfs/dbraw/zinc/41/35/51/645413551.db2.gz RDTQZZZAFDINMD-KBPBESRZSA-N 2 1 238.375 1.034 20 30 BDEDMP C#CC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000847005260 645413557 /nfs/dbraw/zinc/41/35/57/645413557.db2.gz RDTQZZZAFDINMD-KBPBESRZSA-N 2 1 238.375 1.034 20 30 BDEDMP C#CC1CCN(C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000852205066 645471993 /nfs/dbraw/zinc/47/19/93/645471993.db2.gz HUVQCTOPYOFAEU-CQSZACIVSA-N 2 1 238.375 1.033 20 30 BDEDMP C#CC1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000852205066 645472018 /nfs/dbraw/zinc/47/20/18/645472018.db2.gz HUVQCTOPYOFAEU-CQSZACIVSA-N 2 1 238.375 1.033 20 30 BDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925707757 646433275 /nfs/dbraw/zinc/43/32/75/646433275.db2.gz RKBYTQYPBPSLNB-XQHKEYJVSA-N 2 1 224.348 1.308 20 30 BDEDMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000925714612 646438592 /nfs/dbraw/zinc/43/85/92/646438592.db2.gz SNHOYPAVERXKIP-DOMZBBRYSA-N 2 1 243.354 1.831 20 30 BDEDMP C#CCCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705643084 712134300 /nfs/dbraw/zinc/13/43/00/712134300.db2.gz VCBDMTFHVNQOSO-OKILXGFUSA-N 2 1 220.360 1.673 20 30 BDEDMP C#CCCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705643084 712134301 /nfs/dbraw/zinc/13/43/01/712134301.db2.gz VCBDMTFHVNQOSO-OKILXGFUSA-N 2 1 220.360 1.673 20 30 BDEDMP C#CCCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705643084 712134302 /nfs/dbraw/zinc/13/43/02/712134302.db2.gz VCBDMTFHVNQOSO-OKILXGFUSA-N 2 1 220.360 1.673 20 30 BDEDMP C#CCCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705643084 712134303 /nfs/dbraw/zinc/13/43/03/712134303.db2.gz VCBDMTFHVNQOSO-OKILXGFUSA-N 2 1 220.360 1.673 20 30 BDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cccnc1C ZINC000392944285 711154828 /nfs/dbraw/zinc/15/48/28/711154828.db2.gz SWWUXBBAKHUAPF-UHFFFAOYSA-N 2 1 231.343 1.435 20 30 BDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccnc1C ZINC000392944285 711154830 /nfs/dbraw/zinc/15/48/30/711154830.db2.gz SWWUXBBAKHUAPF-UHFFFAOYSA-N 2 1 231.343 1.435 20 30 BDEDMP CCC#C[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440417 711714194 /nfs/dbraw/zinc/71/41/94/711714194.db2.gz UWLKIMHYHUEFNN-HZSPNIEDSA-N 2 1 220.360 1.672 20 30 BDEDMP CCC#C[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931440417 711714195 /nfs/dbraw/zinc/71/41/95/711714195.db2.gz UWLKIMHYHUEFNN-HZSPNIEDSA-N 2 1 220.360 1.672 20 30 BDEDMP CCC#C[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931440417 711714197 /nfs/dbraw/zinc/71/41/97/711714197.db2.gz UWLKIMHYHUEFNN-HZSPNIEDSA-N 2 1 220.360 1.672 20 30 BDEDMP CCNC(NC[C@H]1CCCC[N@@H+](C)C1)=[NH+]CC ZINC000700812879 712006304 /nfs/dbraw/zinc/00/63/04/712006304.db2.gz KFXUDKFTFSLDKZ-GFCCVEGCSA-N 2 1 240.395 1.293 20 30 BDEDMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C2 ZINC000703582401 712079918 /nfs/dbraw/zinc/07/99/18/712079918.db2.gz HLLIDYACLAYCEA-LSDHHAIUSA-N 2 1 241.338 1.600 20 30 BDEDMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC000703582401 712079920 /nfs/dbraw/zinc/07/99/20/712079920.db2.gz HLLIDYACLAYCEA-LSDHHAIUSA-N 2 1 241.338 1.600 20 30 BDEDMP C=CC[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000703665607 712082480 /nfs/dbraw/zinc/08/24/80/712082480.db2.gz QKCYMGGQFMSERQ-NXEZZACHSA-N 2 1 218.291 1.867 20 30 BDEDMP C=CC[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000703665607 712082483 /nfs/dbraw/zinc/08/24/83/712082483.db2.gz QKCYMGGQFMSERQ-NXEZZACHSA-N 2 1 218.291 1.867 20 30 BDEDMP C=CCC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720874205 712873404 /nfs/dbraw/zinc/87/34/04/712873404.db2.gz WZSWRBNZSRNHQX-DTWKUNHWSA-N 2 1 222.254 1.632 20 30 BDEDMP C=CCO[C@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC001345160376 957161254 /nfs/dbraw/zinc/16/12/54/957161254.db2.gz UYDASNOVJFUZPI-UONOGXRCSA-N 2 1 238.375 1.653 20 30 BDEDMP