smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105922537 136363945 /nfs/dbraw/zinc/36/39/45/136363945.db2.gz VPWSITYWNVPFSY-ZDUSSCGKSA-N 2 2 233.359 2.659 10 30 BFEELP C=C(C)C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105922537 136363946 /nfs/dbraw/zinc/36/39/46/136363946.db2.gz VPWSITYWNVPFSY-ZDUSSCGKSA-N 2 2 233.359 2.659 10 30 BFEELP C#CC[NH+]1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000037740089 188326408 /nfs/dbraw/zinc/32/64/08/188326408.db2.gz BOKDDRONWQJEOW-UHFFFAOYSA-N 2 2 248.414 2.644 10 30 BFEELP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000309957835 491158913 /nfs/dbraw/zinc/15/89/13/491158913.db2.gz JLHFMUJGGCHKIV-XUXIUFHCSA-N 2 2 224.392 2.517 10 30 BFEELP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000309957835 491158914 /nfs/dbraw/zinc/15/89/14/491158914.db2.gz JLHFMUJGGCHKIV-XUXIUFHCSA-N 2 2 224.392 2.517 10 30 BFEELP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000658033802 411209055 /nfs/dbraw/zinc/20/90/55/411209055.db2.gz DEEIZTPGWODPQJ-KFWWJZLASA-N 2 2 236.403 2.805 10 30 BFEELP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000658033802 411209058 /nfs/dbraw/zinc/20/90/58/411209058.db2.gz DEEIZTPGWODPQJ-KFWWJZLASA-N 2 2 236.403 2.805 10 30 BFEELP C=C(C)C[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105922532 136363871 /nfs/dbraw/zinc/36/38/71/136363871.db2.gz VPWSITYWNVPFSY-CYBMUJFWSA-N 2 2 233.359 2.659 10 30 BFEELP C=C(C)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105922532 136363872 /nfs/dbraw/zinc/36/38/72/136363872.db2.gz VPWSITYWNVPFSY-CYBMUJFWSA-N 2 2 233.359 2.659 10 30 BFEELP CC/[NH+]=C1\CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC000584601675 358258991 /nfs/dbraw/zinc/25/89/91/358258991.db2.gz LQNSKXVIONJOOG-WTNDLDAUSA-N 2 2 228.339 2.841 10 30 BFEELP CC/[NH+]=C1\CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC000584601675 358258995 /nfs/dbraw/zinc/25/89/95/358258995.db2.gz LQNSKXVIONJOOG-WTNDLDAUSA-N 2 2 228.339 2.841 10 30 BFEELP CC(C)[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2C#N)CC1 ZINC000387476595 366412142 /nfs/dbraw/zinc/41/21/42/366412142.db2.gz ZYGWANMIIROAMB-ZFWWWQNUSA-N 2 2 249.402 2.531 10 30 BFEELP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C#N)CC1 ZINC000387476080 366412255 /nfs/dbraw/zinc/41/22/55/366412255.db2.gz ZYGWANMIIROAMB-UKRRQHHQSA-N 2 2 249.402 2.531 10 30 BFEELP C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246365863 387079016 /nfs/dbraw/zinc/07/90/16/387079016.db2.gz XWGAGOWSFCDFHJ-CMPLNLGQSA-N 2 2 239.750 2.519 10 30 BFEELP C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246365863 387079023 /nfs/dbraw/zinc/07/90/23/387079023.db2.gz XWGAGOWSFCDFHJ-CMPLNLGQSA-N 2 2 239.750 2.519 10 30 BFEELP C=CC[NH+](CC=C)C[C@](C)([NH3+])c1ccccc1 ZINC000035619384 166334660 /nfs/dbraw/zinc/33/46/60/166334660.db2.gz RVWRNOSHTKHPRK-HNNXBMFYSA-N 2 2 230.355 2.535 10 30 BFEELP CCCCCCCCC[N@@H+]1CC[C@H]1C[NH3+] ZINC000757144441 582525819 /nfs/dbraw/zinc/52/58/19/582525819.db2.gz KFUNXGKNFOAYBN-ZDUSSCGKSA-N 2 2 212.381 2.770 10 30 BFEELP CCCCCCCCC[N@H+]1CC[C@H]1C[NH3+] ZINC000757144441 582525821 /nfs/dbraw/zinc/52/58/21/582525821.db2.gz KFUNXGKNFOAYBN-ZDUSSCGKSA-N 2 2 212.381 2.770 10 30 BFEELP CC/[NH+]=C1\CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC000584601676 358258799 /nfs/dbraw/zinc/25/87/99/358258799.db2.gz LQNSKXVIONJOOG-XERWBJCMSA-N 2 2 228.339 2.841 10 30 BFEELP CC/[NH+]=C1\CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC000584601676 358258801 /nfs/dbraw/zinc/25/88/01/358258801.db2.gz LQNSKXVIONJOOG-XERWBJCMSA-N 2 2 228.339 2.841 10 30 BFEELP CCC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2C#N)CC1 ZINC000054827111 369101010 /nfs/dbraw/zinc/10/10/10/369101010.db2.gz YPMJRQBMOAVHPR-ZFWWWQNUSA-N 2 2 249.402 2.533 10 30 BFEELP C=CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649794 134330544 /nfs/dbraw/zinc/33/05/44/134330544.db2.gz PKGURWBJZTYGEB-LBPRGKRZSA-N 2 2 227.311 2.709 10 30 BFEELP C=CCC[C@H](CC)[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000381564259 539003668 /nfs/dbraw/zinc/00/36/68/539003668.db2.gz SNHRVNXVFBDSFN-RDBSUJKOSA-N 2 2 224.392 2.661 10 30 BFEELP C=CCC[C@H](CC)[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000381564259 539003670 /nfs/dbraw/zinc/00/36/70/539003670.db2.gz SNHRVNXVFBDSFN-RDBSUJKOSA-N 2 2 224.392 2.661 10 30 BFEELP CC(C)[NH2+][C@@](C)(C#N)CCC[NH+]1CCCCC1 ZINC000045307472 167136879 /nfs/dbraw/zinc/13/68/79/167136879.db2.gz SERYERLDSAZCJW-CQSZACIVSA-N 2 2 237.391 2.533 10 30 BFEELP C[C@@H]1CCC[N@H+](CCCC[C@](C)([NH3+])C#N)CC1 ZINC000104347583 176098611 /nfs/dbraw/zinc/09/86/11/176098611.db2.gz LSQSUCYJTFUHHH-KGLIPLIRSA-N 2 2 237.391 2.520 10 30 BFEELP C[C@@H]1CCC[N@@H+](CCCC[C@](C)([NH3+])C#N)CC1 ZINC000104347583 176098613 /nfs/dbraw/zinc/09/86/13/176098613.db2.gz LSQSUCYJTFUHHH-KGLIPLIRSA-N 2 2 237.391 2.520 10 30 BFEELP C=CCC[C@H](CC)[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000381564258 539003878 /nfs/dbraw/zinc/00/38/78/539003878.db2.gz SNHRVNXVFBDSFN-MELADBBJSA-N 2 2 224.392 2.661 10 30 BFEELP C=CCC[C@H](CC)[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000381564258 539003879 /nfs/dbraw/zinc/00/38/79/539003879.db2.gz SNHRVNXVFBDSFN-MELADBBJSA-N 2 2 224.392 2.661 10 30 BFEELP C=C(C)C[N@@H+](CC)[C@H](C[NH2+]C)c1ccccc1 ZINC000052423593 187358736 /nfs/dbraw/zinc/35/87/36/187358736.db2.gz IWOMJADIWVIIKU-OAHLLOKOSA-N 2 2 232.371 2.845 10 30 BFEELP C=C(C)C[N@H+](CC)[C@H](C[NH2+]C)c1ccccc1 ZINC000052423593 187358738 /nfs/dbraw/zinc/35/87/38/187358738.db2.gz IWOMJADIWVIIKU-OAHLLOKOSA-N 2 2 232.371 2.845 10 30 BFEELP C=CCC[C@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000126816466 388704822 /nfs/dbraw/zinc/70/48/22/388704822.db2.gz KALQPAQELGWSLD-UONOGXRCSA-N 2 2 226.408 2.907 10 30 BFEELP C[C@@H]1CCC[N@H+](CCCC[C@](C)([NH3+])C#N)[C@@H]1C ZINC000050567124 176098593 /nfs/dbraw/zinc/09/85/93/176098593.db2.gz XJSRDJQNTQPPJH-MCIONIFRSA-N 2 2 237.391 2.518 10 30 BFEELP C[C@@H]1CCC[N@@H+](CCCC[C@](C)([NH3+])C#N)[C@@H]1C ZINC000050567124 176098596 /nfs/dbraw/zinc/09/85/96/176098596.db2.gz XJSRDJQNTQPPJH-MCIONIFRSA-N 2 2 237.391 2.518 10 30 BFEELP C[C@H]1CCC[N@H+](CCCC[C@](C)([NH3+])C#N)CC1 ZINC000104347588 177097063 /nfs/dbraw/zinc/09/70/63/177097063.db2.gz LSQSUCYJTFUHHH-KBPBESRZSA-N 2 2 237.391 2.520 10 30 BFEELP C[C@H]1CCC[N@@H+](CCCC[C@](C)([NH3+])C#N)CC1 ZINC000104347588 177097066 /nfs/dbraw/zinc/09/70/66/177097066.db2.gz LSQSUCYJTFUHHH-KBPBESRZSA-N 2 2 237.391 2.520 10 30 BFEELP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C#N)CC1 ZINC000054827105 369100411 /nfs/dbraw/zinc/10/04/11/369100411.db2.gz YPMJRQBMOAVHPR-UKRRQHHQSA-N 2 2 249.402 2.533 10 30 BFEELP C=CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649815 134330709 /nfs/dbraw/zinc/33/07/09/134330709.db2.gz PKGURWBJZTYGEB-GFCCVEGCSA-N 2 2 227.311 2.709 10 30 BFEELP CCC(CC)C[N@H+](CC)CCCC/C(N)=[NH+]\O ZINC000049580286 168348357 /nfs/dbraw/zinc/34/83/57/168348357.db2.gz ZNYLGNPFXXHHKY-UHFFFAOYSA-N 2 2 243.395 2.661 10 30 BFEELP CCC(CC)C[N@@H+](CC)CCCC/C(N)=[NH+]\O ZINC000049580286 168348358 /nfs/dbraw/zinc/34/83/58/168348358.db2.gz ZNYLGNPFXXHHKY-UHFFFAOYSA-N 2 2 243.395 2.661 10 30 BFEELP C=C(C[NH2+]C(C)C)C[N@H+](C)Cc1ccccc1 ZINC000231591171 350875529 /nfs/dbraw/zinc/87/55/29/350875529.db2.gz KYRZUDVOYGBHMU-UHFFFAOYSA-N 2 2 232.371 2.673 10 30 BFEELP C=C(C[NH2+]C(C)C)C[N@@H+](C)Cc1ccccc1 ZINC000231591171 350875530 /nfs/dbraw/zinc/87/55/30/350875530.db2.gz KYRZUDVOYGBHMU-UHFFFAOYSA-N 2 2 232.371 2.673 10 30 BFEELP C=CCC[C@@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)C1CC1 ZINC000245931479 323007679 /nfs/dbraw/zinc/00/76/79/323007679.db2.gz JIXCQECKJLUMBO-LSDHHAIUSA-N 2 2 236.403 2.805 10 30 BFEELP C=CCC[C@@H]([NH2+][C@H]1CCC[N@H+](CC)C1)C1CC1 ZINC000245931479 323007680 /nfs/dbraw/zinc/00/76/80/323007680.db2.gz JIXCQECKJLUMBO-LSDHHAIUSA-N 2 2 236.403 2.805 10 30 BFEELP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2C#N)CC1 ZINC000387476075 366412717 /nfs/dbraw/zinc/41/27/17/366412717.db2.gz ZYGWANMIIROAMB-DZGCQCFKSA-N 2 2 249.402 2.531 10 30 BFEELP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000658033803 411209649 /nfs/dbraw/zinc/20/96/49/411209649.db2.gz DEEIZTPGWODPQJ-QLFBSQMISA-N 2 2 236.403 2.805 10 30 BFEELP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000658033803 411209651 /nfs/dbraw/zinc/20/96/51/411209651.db2.gz DEEIZTPGWODPQJ-QLFBSQMISA-N 2 2 236.403 2.805 10 30 BFEELP C[N@H+]1[C@@H]2CC[C@H]1CC(/[NH+]=C\c1ccccc1)C2 ZINC000012410200 173207094 /nfs/dbraw/zinc/20/70/94/173207094.db2.gz AFIQCOMVQVIRPE-ASWOIHEVSA-N 2 2 228.339 2.731 10 30 BFEELP C[N@@H+]1[C@@H]2CC[C@H]1CC(/[NH+]=C\c1ccccc1)C2 ZINC000012410200 173207095 /nfs/dbraw/zinc/20/70/95/173207095.db2.gz AFIQCOMVQVIRPE-ASWOIHEVSA-N 2 2 228.339 2.731 10 30 BFEELP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2C#N)CC1 ZINC000054827109 369100358 /nfs/dbraw/zinc/10/03/58/369100358.db2.gz YPMJRQBMOAVHPR-DZGCQCFKSA-N 2 2 249.402 2.533 10 30 BFEELP CC(C)[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2C#N)CC1 ZINC000387476078 366412398 /nfs/dbraw/zinc/41/23/98/366412398.db2.gz ZYGWANMIIROAMB-HIFRSBDPSA-N 2 2 249.402 2.531 10 30 BFEELP C=CCC[C@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)C1CC1 ZINC000120421161 387188704 /nfs/dbraw/zinc/18/87/04/387188704.db2.gz JIXCQECKJLUMBO-GJZGRUSLSA-N 2 2 236.403 2.805 10 30 BFEELP C=CCC[C@H]([NH2+][C@H]1CCC[N@H+](CC)C1)C1CC1 ZINC000120421161 387188707 /nfs/dbraw/zinc/18/87/07/387188707.db2.gz JIXCQECKJLUMBO-GJZGRUSLSA-N 2 2 236.403 2.805 10 30 BFEELP CCCCCCC[N@H+](C)CCc1c[nH]c[nH+]1 ZINC000044323837 387510637 /nfs/dbraw/zinc/51/06/37/387510637.db2.gz GDWQJZBKLATJOR-UHFFFAOYSA-N 2 2 223.364 2.854 10 30 BFEELP CCCCCCC[N@@H+](C)CCc1c[nH]c[nH+]1 ZINC000044323837 387510641 /nfs/dbraw/zinc/51/06/41/387510641.db2.gz GDWQJZBKLATJOR-UHFFFAOYSA-N 2 2 223.364 2.854 10 30 BFEELP C=CCC[C@@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000126816928 388704766 /nfs/dbraw/zinc/70/47/66/388704766.db2.gz KALQPAQELGWSLD-ZIAGYGMSSA-N 2 2 226.408 2.907 10 30 BFEELP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000658033800 411209640 /nfs/dbraw/zinc/20/96/40/411209640.db2.gz DEEIZTPGWODPQJ-ILXRZTDVSA-N 2 2 236.403 2.805 10 30 BFEELP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000658033800 411209641 /nfs/dbraw/zinc/20/96/41/411209641.db2.gz DEEIZTPGWODPQJ-ILXRZTDVSA-N 2 2 236.403 2.805 10 30 BFEELP Cc1ccccc1[NH+]=C1NC(=[NH2+])c2ccccc21 ZINC000008687708 179244889 /nfs/dbraw/zinc/24/48/89/179244889.db2.gz PSXFQOQXPFZDKL-UHFFFAOYSA-N 2 2 235.290 2.792 10 30 BFEELP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000309957831 491158942 /nfs/dbraw/zinc/15/89/42/491158942.db2.gz JLHFMUJGGCHKIV-CRWXNKLISA-N 2 2 224.392 2.517 10 30 BFEELP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000309957831 491158943 /nfs/dbraw/zinc/15/89/43/491158943.db2.gz JLHFMUJGGCHKIV-CRWXNKLISA-N 2 2 224.392 2.517 10 30 BFEELP C=CC[NH+](CC=C)C[C@@](C)([NH3+])c1ccccc1 ZINC000035619382 166334222 /nfs/dbraw/zinc/33/42/22/166334222.db2.gz RVWRNOSHTKHPRK-OAHLLOKOSA-N 2 2 230.355 2.535 10 30 BFEELP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000658033805 411209098 /nfs/dbraw/zinc/20/90/98/411209098.db2.gz DEEIZTPGWODPQJ-RBSFLKMASA-N 2 2 236.403 2.805 10 30 BFEELP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000658033805 411209101 /nfs/dbraw/zinc/20/91/01/411209101.db2.gz DEEIZTPGWODPQJ-RBSFLKMASA-N 2 2 236.403 2.805 10 30 BFEELP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](/[NH+]=C\c1ccccc1)C2 ZINC000100243811 173206204 /nfs/dbraw/zinc/20/62/04/173206204.db2.gz AFIQCOMVQVIRPE-VXYPYEODSA-N 2 2 228.339 2.731 10 30 BFEELP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](/[NH+]=C\c1ccccc1)C2 ZINC000100243811 173206206 /nfs/dbraw/zinc/20/62/06/173206206.db2.gz AFIQCOMVQVIRPE-VXYPYEODSA-N 2 2 228.339 2.731 10 30 BFEELP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](/[NH+]=C\c1ccccc1)C2 ZINC000100243815 173206520 /nfs/dbraw/zinc/20/65/20/173206520.db2.gz AFIQCOMVQVIRPE-GTYPQZOUSA-N 2 2 228.339 2.731 10 30 BFEELP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](/[NH+]=C\c1ccccc1)C2 ZINC000100243815 173206521 /nfs/dbraw/zinc/20/65/21/173206521.db2.gz AFIQCOMVQVIRPE-GTYPQZOUSA-N 2 2 228.339 2.731 10 30 BFEELP C=CCC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)C1CC1 ZINC000120421320 387189750 /nfs/dbraw/zinc/18/97/50/387189750.db2.gz JIXCQECKJLUMBO-CABCVRRESA-N 2 2 236.403 2.805 10 30 BFEELP C=CCC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)C1CC1 ZINC000120421320 387189757 /nfs/dbraw/zinc/18/97/57/387189757.db2.gz JIXCQECKJLUMBO-CABCVRRESA-N 2 2 236.403 2.805 10 30 BFEELP C=CCC[C@H](CC)[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000381564257 539003772 /nfs/dbraw/zinc/00/37/72/539003772.db2.gz SNHRVNXVFBDSFN-IHRRRGAJSA-N 2 2 224.392 2.661 10 30 BFEELP C=CCC[C@H](CC)[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000381564257 539003774 /nfs/dbraw/zinc/00/37/74/539003774.db2.gz SNHRVNXVFBDSFN-IHRRRGAJSA-N 2 2 224.392 2.661 10 30 BFEELP C=CCCC[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000306877421 351271454 /nfs/dbraw/zinc/27/14/54/351271454.db2.gz IBGJSMYMCSGNQY-UHFFFAOYSA-N 2 2 232.371 2.674 10 30 BFEELP C=CCCC[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000306877421 351271455 /nfs/dbraw/zinc/27/14/55/351271455.db2.gz IBGJSMYMCSGNQY-UHFFFAOYSA-N 2 2 232.371 2.674 10 30 BFEELP C=CC[NH2+]C[C@@H](c1ccccc1)[NH+](CC)CC ZINC000049854545 188219326 /nfs/dbraw/zinc/21/93/26/188219326.db2.gz LZNQEYNOJNFPLR-HNNXBMFYSA-N 2 2 232.371 2.845 10 30 BFEELP C=CCC1([NH2+]C[C@@H]2CCC[N@H+]2C)CCCC1 ZINC000661850560 411901653 /nfs/dbraw/zinc/90/16/53/411901653.db2.gz JSOLETABKAHYGE-ZDUSSCGKSA-N 2 2 222.376 2.559 10 30 BFEELP C=CCC1([NH2+]C[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC000661850560 411901656 /nfs/dbraw/zinc/90/16/56/411901656.db2.gz JSOLETABKAHYGE-ZDUSSCGKSA-N 2 2 222.376 2.559 10 30 BFEELP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000309957832 491158954 /nfs/dbraw/zinc/15/89/54/491158954.db2.gz JLHFMUJGGCHKIV-RFQIPJPRSA-N 2 2 224.392 2.517 10 30 BFEELP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000309957832 491158955 /nfs/dbraw/zinc/15/89/55/491158955.db2.gz JLHFMUJGGCHKIV-RFQIPJPRSA-N 2 2 224.392 2.517 10 30 BFEELP CCC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2C#N)CC1 ZINC000054827107 369100908 /nfs/dbraw/zinc/10/09/08/369100908.db2.gz YPMJRQBMOAVHPR-HIFRSBDPSA-N 2 2 249.402 2.533 10 30 BFEELP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000309957834 491158899 /nfs/dbraw/zinc/15/88/99/491158899.db2.gz JLHFMUJGGCHKIV-XDQVBPFNSA-N 2 2 224.392 2.517 10 30 BFEELP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000309957834 491158900 /nfs/dbraw/zinc/15/89/00/491158900.db2.gz JLHFMUJGGCHKIV-XDQVBPFNSA-N 2 2 224.392 2.517 10 30 BFEELP C=CCC[C@H](CC)[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000381564256 539003606 /nfs/dbraw/zinc/00/36/06/539003606.db2.gz SNHRVNXVFBDSFN-HZSPNIEDSA-N 2 2 224.392 2.661 10 30 BFEELP C=CCC[C@H](CC)[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000381564256 539003607 /nfs/dbraw/zinc/00/36/07/539003607.db2.gz SNHRVNXVFBDSFN-HZSPNIEDSA-N 2 2 224.392 2.661 10 30 BFEELP C=CC[N@@H+](CC[NH3+])Cc1c(C)cc(C)cc1C ZINC000076615205 166342552 /nfs/dbraw/zinc/34/25/52/166342552.db2.gz IECAASGWUWKKOI-UHFFFAOYSA-N 2 2 232.371 2.559 10 30 BFEELP C=CC[N@H+](CC[NH3+])Cc1c(C)cc(C)cc1C ZINC000076615205 166342556 /nfs/dbraw/zinc/34/25/56/166342556.db2.gz IECAASGWUWKKOI-UHFFFAOYSA-N 2 2 232.371 2.559 10 30 BFEELP C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246365881 387078947 /nfs/dbraw/zinc/07/89/47/387078947.db2.gz XWGAGOWSFCDFHJ-ZYHUDNBSSA-N 2 2 239.750 2.519 10 30 BFEELP C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246365881 387078950 /nfs/dbraw/zinc/07/89/50/387078950.db2.gz XWGAGOWSFCDFHJ-ZYHUDNBSSA-N 2 2 239.750 2.519 10 30 BFEELP CC(C)[NH2+][C@](C)(C#N)CCC[NH+]1CCCCC1 ZINC000045307470 167142032 /nfs/dbraw/zinc/14/20/32/167142032.db2.gz SERYERLDSAZCJW-AWEZNQCLSA-N 2 2 237.391 2.533 10 30 BFEELP C=CCC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)C1CC1 ZINC000245931475 323007784 /nfs/dbraw/zinc/00/77/84/323007784.db2.gz JIXCQECKJLUMBO-HUUCEWRRSA-N 2 2 236.403 2.805 10 30 BFEELP C=CCC[C@@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)C1CC1 ZINC000245931475 323007785 /nfs/dbraw/zinc/00/77/85/323007785.db2.gz JIXCQECKJLUMBO-HUUCEWRRSA-N 2 2 236.403 2.805 10 30 BFEELP CCCCCCCCC[N@@H+]1CC[C@@H]1C[NH3+] ZINC000757144436 582525740 /nfs/dbraw/zinc/52/57/40/582525740.db2.gz KFUNXGKNFOAYBN-CYBMUJFWSA-N 2 2 212.381 2.770 10 30 BFEELP CCCCCCCCC[N@H+]1CC[C@@H]1C[NH3+] ZINC000757144436 582525743 /nfs/dbraw/zinc/52/57/43/582525743.db2.gz KFUNXGKNFOAYBN-CYBMUJFWSA-N 2 2 212.381 2.770 10 30 BFEELP